[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol

C16H23N7O — CID 154743157

IUPAC[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCCN(c3cc(NCC4CC4)ncn3)C2)nn1
InChIInChI=1S/C16H23N7O/c24-10-13-8-23(21-20-13)14-2-1-5-22(9-14)16-6-15(18-11-19-16)17-7-12-3-4-12/h6,8,11-12,14,24H,1-5,7,9-10H2,(H,17,18,19)
InChIKeyXMCGLYDCYQBIBA-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.22
Rot. Bonds6

About [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol

[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol (PubChem CID 154743157) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
PubChem CID154743157
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCCN(c3cc(NCC4CC4)ncn3)C2)nn1
InChIInChI=1S/C16H23N7O/c24-10-13-8-23(21-20-13)14-2-1-5-22(9-14)16-6-15(18-11-19-16)17-7-12-3-4-12/h6,8,11-12,14,24H,1-5,7,9-10H2,(H,17,18,19)
InChIKeyXMCGLYDCYQBIBA-UHFFFAOYSA-N
XLogP1.22
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
[1-[(3R)-1-cyclobutylpiperidin-3-yl]triazol-4-yl]methanol
CID 129344711
6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine
CID 166238047
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308
N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449

Frequently Asked Questions

What is the IUPAC name of [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol (CID 154743157) is [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol is OCc1cn(C2CCCN(c3cc(NCC4CC4)ncn3)C2)nn1.
What is the InChIKey of [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is XMCGLYDCYQBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c24-10-13-8-23(21-20-13)14-2-1-5-22(9-14)16-6-15(18-11-19-16)17-7-12-3-4-12/h6,8,11-12,14,24H,1-5,7,9-10H2,(H,17,18,19).
What are the key properties of [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol?
[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 329.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 154743157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).