1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea

C19H25N5O — CID 97333247

IUPAC1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
SMILESC[C@]1(CNC(=O)N[C@@H]2CCCn3ncnc32)CCCc2ccccc21
InChIInChI=1S/C19H25N5O/c1-19(10-4-7-14-6-2-3-8-15(14)19)12-20-18(25)23-16-9-5-11-24-17(16)21-13-22-24/h2-3,6,8,13,16H,4-5,7,9-12H2,1H3,(H2,20,23,25)/t16-,19-/m1/s1
InChIKeyVURKSGNPIBJTQA-VQIMIIECSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds3

About 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea

1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea (PubChem CID 97333247) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea.

Molecular Properties

Compound Name1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
PubChem CID97333247
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
SMILESC[C@]1(CNC(=O)N[C@@H]2CCCn3ncnc32)CCCc2ccccc21
InChIInChI=1S/C19H25N5O/c1-19(10-4-7-14-6-2-3-8-15(14)19)12-20-18(25)23-16-9-5-11-24-17(16)21-13-22-24/h2-3,6,8,13,16H,4-5,7,9-12H2,1H3,(H2,20,23,25)/t16-,19-/m1/s1
InChIKeyVURKSGNPIBJTQA-VQIMIIECSA-N
XLogP2.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea with MolForge

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Related Compounds

(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide
CID 97334309
2,2,3,3-tetramethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclopropane-1-carboxamide
CID 127433298
2-methyl-3-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-oxopropanoic acid
CID 122066718
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124844930
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide
CID 166355058
1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 99840303
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide
CID 128999300
1-(2-methyl-4-nitrophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 86817893
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The IUPAC name of 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea (CID 97333247) is 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea.
What is the SMILES notation for 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The canonical SMILES for 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea is C[C@]1(CNC(=O)N[C@@H]2CCCn3ncnc32)CCCc2ccccc21.
What is the InChIKey of 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The InChIKey is VURKSGNPIBJTQA-VQIMIIECSA-N. The full InChI is InChI=1S/C19H25N5O/c1-19(10-4-7-14-6-2-3-8-15(14)19)12-20-18(25)23-16-9-5-11-24-17(16)21-13-22-24/h2-3,6,8,13,16H,4-5,7,9-12H2,1H3,(H2,20,23,25)/t16-,19-/m1/s1.
What are the key properties of 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea is sourced from PubChem (CID 97333247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).