(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine

C11H20N4 — CID 82205832

IUPAC(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1nnc(CN)c1C1CC1
InChIInChI=1S/C11H20N4/c1-2-3-4-7-15-11(9-5-6-9)10(8-12)13-14-15/h9H,2-8,12H2,1H3
InChIKeyCVXIAQLSNYTTQY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.80
Rot. Bonds6

About (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine

(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine (PubChem CID 82205832) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
PubChem CID82205832
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1nnc(CN)c1C1CC1
InChIInChI=1S/C11H20N4/c1-2-3-4-7-15-11(9-5-6-9)10(8-12)13-14-15/h9H,2-8,12H2,1H3
InChIKeyCVXIAQLSNYTTQY-UHFFFAOYSA-N
XLogP1.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
CID 82206090
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
5-cyclopropyl-1-pentyltriazole-4-carbaldehyde
CID 82205654
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82205498
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82206122
[1-heptyl-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82208134
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
CID 82203359

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine?
The IUPAC name of (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine (CID 82205832) is (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine?
The canonical SMILES for (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine is CCCCCn1nnc(CN)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine?
The InChIKey is CVXIAQLSNYTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-3-4-7-15-11(9-5-6-9)10(8-12)13-14-15/h9H,2-8,12H2,1H3.
What are the key properties of (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine?
(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-pentyltriazol-4-yl)methanamine is sourced from PubChem (CID 82205832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).