1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea

C17H25N7O — CID 94030807

IUPAC1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
SMILESC[C@H]1CCCCN1CCNC(=O)NCc1ccc(-n2cncn2)nc1
InChIInChI=1S/C17H25N7O/c1-14-4-2-3-8-23(14)9-7-19-17(25)21-11-15-5-6-16(20-10-15)24-13-18-12-22-24/h5-6,10,12-14H,2-4,7-9,11H2,1H3,(H2,19,21,25)/t14-/m0/s1
InChIKeyLVVONXCBJIXQSU-AWEZNQCLSA-N
MW343.44 g/mol
LogP1.34
Rot. Bonds6

About 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 94030807) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
PubChem CID94030807
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
SMILESC[C@H]1CCCCN1CCNC(=O)NCc1ccc(-n2cncn2)nc1
InChIInChI=1S/C17H25N7O/c1-14-4-2-3-8-23(14)9-7-19-17(25)21-11-15-5-6-16(20-10-15)24-13-18-12-22-24/h5-6,10,12-14H,2-4,7-9,11H2,1H3,(H2,19,21,25)/t14-/m0/s1
InChIKeyLVVONXCBJIXQSU-AWEZNQCLSA-N
XLogP1.34
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
(4aS,8aS)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 94030810
methyl 4-[[2-[(2R)-2-methylpiperidin-1-yl]ethylcarbamoylamino]methyl]benzoate
CID 51957643
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 95687305
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 71895021
1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 167749837
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 95124262
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55819530
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea (CID 94030807) is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea is C[C@H]1CCCCN1CCNC(=O)NCc1ccc(-n2cncn2)nc1.
What is the InChIKey of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is LVVONXCBJIXQSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N7O/c1-14-4-2-3-8-23(14)9-7-19-17(25)21-11-15-5-6-16(20-10-15)24-13-18-12-22-24/h5-6,10,12-14H,2-4,7-9,11H2,1H3,(H2,19,21,25)/t14-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea?
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 343.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 94030807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).