N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C9H15N5O2 — CID 137255356

IUPACN-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESNC1CCC(NC(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)11-8(15)7-12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,15)(H2,12,13,14,16)
InChIKeyHXYTTWHQHHBEOS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.90
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137255356) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137255356
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESNC1CCC(NC(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)11-8(15)7-12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,15)(H2,12,13,14,16)
InChIKeyHXYTTWHQHHBEOS-UHFFFAOYSA-N
XLogP-0.90
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137255356) is N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is NC1CCC(NC(=O)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is HXYTTWHQHHBEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)11-8(15)7-12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137255356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).