[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol

C9H17N5O — CID 102799874

IUPAC[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
SMILESNCC1CCCN(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C9H17N5O/c10-4-7-2-1-3-14(5-7)9-11-8(6-15)12-13-9/h7,15H,1-6,10H2,(H,11,12,13)
InChIKeyCPGPELNTLWZVBJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.53
Rot. Bonds3

About [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol

[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 102799874) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID102799874
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
SMILESNCC1CCCN(c2n[nH]c(CO)n2)C1
InChIInChI=1S/C9H17N5O/c10-4-7-2-1-3-14(5-7)9-11-8(6-15)12-13-9/h7,15H,1-6,10H2,(H,11,12,13)
InChIKeyCPGPELNTLWZVBJ-UHFFFAOYSA-N
XLogP-0.53
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800042
[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799830
[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304
[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 103556069
[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
[1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799823
[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799843
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799796
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799765
[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800011
[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744
[1-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799989

Frequently Asked Questions

What is the IUPAC name of [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol (CID 102799874) is [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol is NCC1CCCN(c2n[nH]c(CO)n2)C1.
What is the InChIKey of [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is CPGPELNTLWZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c10-4-7-2-1-3-14(5-7)9-11-8(6-15)12-13-9/h7,15H,1-6,10H2,(H,11,12,13).
What are the key properties of [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol?
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 211.27 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 102799874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).