N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide

C6H9N5 — CID 135965177

IUPACN'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide
SMILESN/C(=N\C1CC1)c1ncn[nH]1
InChIInChI=1S/C6H9N5/c7-5(10-4-1-2-4)6-8-3-9-11-6/h3-4H,1-2H2,(H2,7,10)(H,8,9,11)
InChIKeyJVAGHNHXPFSHPB-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.33
Rot. Bonds2

About N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide

N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide (PubChem CID 135965177) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide
PubChem CID135965177
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC NameN'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide
SMILESN/C(=N\C1CC1)c1ncn[nH]1
InChIInChI=1S/C6H9N5/c7-5(10-4-1-2-4)6-8-3-9-11-6/h3-4H,1-2H2,(H2,7,10)(H,8,9,11)
InChIKeyJVAGHNHXPFSHPB-UHFFFAOYSA-N
XLogP-0.33
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
(3,4-dimethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
CID 65362935
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 102724932
N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115301074
[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate
CID 175284797
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide
CID 63654699
4-amino-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexyl]cyclohexane-1-carboxamide
CID 158828539
N-(1-oxothiolan-1-ylidene)-1H-1,2,4-triazole-5-carboxamide
CID 130582206
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide?
The IUPAC name of N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide (CID 135965177) is N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide?
The canonical SMILES for N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide is N/C(=N\C1CC1)c1ncn[nH]1.
What is the InChIKey of N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide?
The InChIKey is JVAGHNHXPFSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c7-5(10-4-1-2-4)6-8-3-9-11-6/h3-4H,1-2H2,(H2,7,10)(H,8,9,11).
What are the key properties of N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide?
N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1H-1,2,4-triazole-5-carboximidamide is sourced from PubChem (CID 135965177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).