3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C18H25N5O — CID 75480276

IUPAC3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1ccc(N3CCOCC3)cc1)CC2
InChIInChI=1S/C18H25N5O/c1-14-20-21-18-7-4-16(13-23(14)18)19-12-15-2-5-17(6-3-15)22-8-10-24-11-9-22/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyUYMKNUSGNOYDJX-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.53
Rot. Bonds4

About 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 75480276) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID75480276
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1ccc(N3CCOCC3)cc1)CC2
InChIInChI=1S/C18H25N5O/c1-14-20-21-18-7-4-16(13-23(14)18)19-12-15-2-5-17(6-3-15)22-8-10-24-11-9-22/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyUYMKNUSGNOYDJX-UHFFFAOYSA-N
XLogP1.53
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772880
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
(6R)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 95149718
3-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772890
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 95156971
1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 61462297
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772872
(6R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 95138472
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 75480276) is 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1nnc2n1CC(NCc1ccc(N3CCOCC3)cc1)CC2.
What is the InChIKey of 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is UYMKNUSGNOYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-20-21-18-7-4-16(13-23(14)18)19-12-15-2-5-17(6-3-15)22-8-10-24-11-9-22/h2-3,5-6,16,19H,4,7-13H2,1H3.
What are the key properties of 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 327.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 75480276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).