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

C10H17N5O2 — CID 113394753

IUPAC3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCCCCC2O)n1
InChIInChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(17)12-6-4-2-1-3-5-7(6)16/h6-7,16H,1-5H2,(H,12,17)(H3,11,13,14,15)
InChIKeyYMMCLLBJKKLWBH-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.19
Rot. Bonds2

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

3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 113394753) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID113394753
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCCCCC2O)n1
InChIInChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(17)12-6-4-2-1-3-5-7(6)16/h6-7,16H,1-5H2,(H,12,17)(H3,11,13,14,15)
InChIKeyYMMCLLBJKKLWBH-UHFFFAOYSA-N
XLogP-0.19
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
CID 62807330
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
3-amino-N-(2-hydroxycyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 102632028
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
CID 94548891
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808266
3-amino-N-piperidin-1-yl-1H-1,2,4-triazole-5-carboxamide
CID 83021412
3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 133134619
3-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806830

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide (CID 113394753) is 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NC2CCCCCC2O)n1.
What is the InChIKey of 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YMMCLLBJKKLWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(17)12-6-4-2-1-3-5-7(6)16/h6-7,16H,1-5H2,(H,12,17)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 113394753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).