(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C9H15N5O2 — CID 62806655

IUPAC(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCCCC2CO)n1
InChIInChI=1S/C9H15N5O2/c10-9-11-7(12-13-9)8(16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H3,10,11,12,13)
InChIKeyYXZKUPGRMDJQNI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.63
Rot. Bonds2

About (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62806655) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62806655
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCCCC2CO)n1
InChIInChI=1S/C9H15N5O2/c10-9-11-7(12-13-9)8(16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H3,10,11,12,13)
InChIKeyYXZKUPGRMDJQNI-UHFFFAOYSA-N
XLogP-0.63
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 62792156
(2R)-1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 79034625
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxamide
CID 62806690
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633830
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
(3-amino-1H-1,2,4-triazol-5-yl)-(azocan-1-yl)methanone
CID 62807162
(3-amino-1H-1,2,4-triazol-5-yl)-pyrrolidin-1-ylmethanone;ethane
CID 144535044
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 107375180
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 116663088
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 62806655) is (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Nc1n[nH]c(C(=O)N2CCCCC2CO)n1.
What is the InChIKey of (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is YXZKUPGRMDJQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-9-11-7(12-13-9)8(16)14-4-2-1-3-6(14)5-15/h6,15H,1-5H2,(H3,10,11,12,13).
What are the key properties of (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 225.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-1,2,4-triazol-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62806655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).