3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C9H15N5O2 — CID 62792850

IUPAC3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CCCCO2)n1
InChIInChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(15)11-5-6-3-1-2-4-16-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14)
InChIKeyJMOKTUPMBNFRMS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.31
Rot. Bonds3

About 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62792850) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62792850
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CCCCO2)n1
InChIInChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(15)11-5-6-3-1-2-4-16-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14)
InChIKeyJMOKTUPMBNFRMS-UHFFFAOYSA-N
XLogP-0.31
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081323
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62792850) is 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCC2CCCCO2)n1.
What is the InChIKey of 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JMOKTUPMBNFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(15)11-5-6-3-1-2-4-16-6/h6H,1-5H2,(H,11,15)(H3,10,12,13,14).
What are the key properties of 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62792850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).