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

C9H17N7 — CID 104886245

IUPAC1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
SMILESCn1cnnc1CC/N=C(\NN)NC1CC1
InChIInChI=1S/C9H17N7/c1-16-6-12-15-8(16)4-5-11-9(14-10)13-7-2-3-7/h6-7H,2-5,10H2,1H3,(H2,11,13,14)
InChIKeyZJIKJMZFSRZIFY-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.07
Rot. Bonds4

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

1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine (PubChem CID 104886245) has the molecular formula C9H17N7 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
PubChem CID104886245
Molecular FormulaC9H17N7
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
SMILESCn1cnnc1CC/N=C(\NN)NC1CC1
InChIInChI=1S/C9H17N7/c1-16-6-12-15-8(16)4-5-11-9(14-10)13-7-2-3-7/h6-7H,2-5,10H2,1H3,(H2,11,13,14)
InChIKeyZJIKJMZFSRZIFY-UHFFFAOYSA-N
XLogP-1.07
TPSA93.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104887608
1-cyclopropyl-3-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111495550
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 79741326
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
CID 116516539
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484
1-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiourea
CID 63330192
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopropyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 104884313
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 110986763

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine (CID 104886245) is 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine is Cn1cnnc1CC/N=C(\NN)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The InChIKey is ZJIKJMZFSRZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7/c1-16-6-12-15-8(16)4-5-11-9(14-10)13-7-2-3-7/h6-7H,2-5,10H2,1H3,(H2,11,13,14).
What are the key properties of 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine has a molecular weight of 223.28 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 104886245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).