2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine

C9H16N6 — CID 62364865

IUPAC2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
SMILESCC(N/C(N)=N/C1CC1)c1nncn1C
InChIInChI=1S/C9H16N6/c1-6(8-14-11-5-15(8)2)12-9(10)13-7-3-4-7/h5-7H,3-4H2,1-2H3,(H3,10,12,13)
InChIKeyWRERRPMUBMVMRU-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.06
Rot. Bonds3

About 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine

2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine (PubChem CID 62364865) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
PubChem CID62364865
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
SMILESCC(N/C(N)=N/C1CC1)c1nncn1C
InChIInChI=1S/C9H16N6/c1-6(8-14-11-5-15(8)2)12-9(10)13-7-3-4-7/h5-7H,3-4H2,1-2H3,(H3,10,12,13)
InChIKeyWRERRPMUBMVMRU-UHFFFAOYSA-N
XLogP-0.06
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867814
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
4-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390593
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
2-cyclopropyl-1-[1-(4-methylphenyl)ethyl]guanidine
CID 62362254
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The IUPAC name of 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine (CID 62364865) is 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine is CC(N/C(N)=N/C1CC1)c1nncn1C.
What is the InChIKey of 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The InChIKey is WRERRPMUBMVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-6(8-14-11-5-15(8)2)12-9(10)13-7-3-4-7/h5-7H,3-4H2,1-2H3,(H3,10,12,13).
What are the key properties of 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine has a molecular weight of 208.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 62364865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).