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

C11H21N7 — CID 104887608

IUPAC1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
SMILESCn1cnc(CC/N=C(\NN)NC2CCCC2)n1
InChIInChI=1S/C11H21N7/c1-18-8-14-10(17-18)6-7-13-11(16-12)15-9-4-2-3-5-9/h8-9H,2-7,12H2,1H3,(H2,13,15,16)
InChIKeyGIBHJVVJWVTYMH-UHFFFAOYSA-N
MW251.34 g/mol
LogP-0.29
Rot. Bonds4

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

1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine (PubChem CID 104887608) has the molecular formula C11H21N7 and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
PubChem CID104887608
Molecular FormulaC11H21N7
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
SMILESCn1cnc(CC/N=C(\NN)NC2CCCC2)n1
InChIInChI=1S/C11H21N7/c1-18-8-14-10(17-18)6-7-13-11(16-12)15-9-4-2-3-5-9/h8-9H,2-7,12H2,1H3,(H2,13,15,16)
InChIKeyGIBHJVVJWVTYMH-UHFFFAOYSA-N
XLogP-0.29
TPSA93.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-0.29
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-cyclopropyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 104886245
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclopentyl-2-[2-(1H-imidazol-2-yl)ethyl]guanidine
CID 116516539
1-amino-3-cyclopentyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262763
1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106424851
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683107
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
CID 116512213
1-amino-3-cyclohexyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 104887221
1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine
CID 106327693
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine (CID 104887608) is 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine is Cn1cnc(CC/N=C(\NN)NC2CCCC2)n1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
The InChIKey is GIBHJVVJWVTYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7/c1-18-8-14-10(17-18)6-7-13-11(16-12)15-9-4-2-3-5-9/h8-9H,2-7,12H2,1H3,(H2,13,15,16).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine has a molecular weight of 251.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 104887608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).