5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine

C11H22N4 — CID 61376855

IUPAC5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCc1nnc(CCCCCN)n1C(C)C
InChIInChI=1S/C11H22N4/c1-9(2)15-10(3)13-14-11(15)7-5-4-6-8-12/h9H,4-8,12H2,1-3H3
InChIKeyBSSOFOCKAOLPMU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.84
Rot. Bonds6

About 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine

5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 61376855) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID61376855
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCc1nnc(CCCCCN)n1C(C)C
InChIInChI=1S/C11H22N4/c1-9(2)15-10(3)13-14-11(15)7-5-4-6-8-12/h9H,4-8,12H2,1-3H3
InChIKeyBSSOFOCKAOLPMU-UHFFFAOYSA-N
XLogP1.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (CID 61376855) is 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is Cc1nnc(CCCCCN)n1C(C)C.
What is the InChIKey of 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is BSSOFOCKAOLPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)15-10(3)13-14-11(15)7-5-4-6-8-12/h9H,4-8,12H2,1-3H3.
What are the key properties of 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 61376855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).