[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine

C9H17N5 — CID 121208781

IUPAC[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCNCC2)nn1
InChIInChI=1S/C9H17N5/c10-5-9-7-14(13-12-9)6-8-1-3-11-4-2-8/h7-8,11H,1-6,10H2
InChIKeyQDBDQSKMIKSYMA-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.26
Rot. Bonds3

About [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine

[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine (PubChem CID 121208781) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
PubChem CID121208781
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCNCC2)nn1
InChIInChI=1S/C9H17N5/c10-5-9-7-14(13-12-9)6-8-1-3-11-4-2-8/h7-8,11H,1-6,10H2
InChIKeyQDBDQSKMIKSYMA-UHFFFAOYSA-N
XLogP-0.26
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 30869809
[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine
CID 129496227
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine
CID 167916205
4-(2-chloroethyl)-1-(cyclobutylmethyl)triazole
CID 65461453
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455
[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine
CID 74610335
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083

Frequently Asked Questions

What is the IUPAC name of [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine (CID 121208781) is [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine is NCc1cn(CC2CCNCC2)nn1.
What is the InChIKey of [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is QDBDQSKMIKSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-5-9-7-14(13-12-9)6-8-1-3-11-4-2-8/h7-8,11H,1-6,10H2.
What are the key properties of [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine?
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 121208781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).