(1-propan-2-yl-5-propyltriazol-4-yl)methanamine

C9H18N4 — CID 82207030

IUPAC(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
SMILESCCCc1c(CN)nnn1C(C)C
InChIInChI=1S/C9H18N4/c1-4-5-9-8(6-10)11-12-13(9)7(2)3/h7H,4-6,10H2,1-3H3
InChIKeyZNPRMZIZKUZKQY-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.27
Rot. Bonds4

About (1-propan-2-yl-5-propyltriazol-4-yl)methanamine

(1-propan-2-yl-5-propyltriazol-4-yl)methanamine (PubChem CID 82207030) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (1-propan-2-yl-5-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
PubChem CID82207030
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
SMILESCCCc1c(CN)nnn1C(C)C
InChIInChI=1S/C9H18N4/c1-4-5-9-8(6-10)11-12-13(9)7(2)3/h7H,4-6,10H2,1-3H3
InChIKeyZNPRMZIZKUZKQY-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-5-propyltriazol-4-yl)methanamine?
The IUPAC name of (1-propan-2-yl-5-propyltriazol-4-yl)methanamine (CID 82207030) is (1-propan-2-yl-5-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-propan-2-yl-5-propyltriazol-4-yl)methanamine?
The canonical SMILES for (1-propan-2-yl-5-propyltriazol-4-yl)methanamine is CCCc1c(CN)nnn1C(C)C.
What is the InChIKey of (1-propan-2-yl-5-propyltriazol-4-yl)methanamine?
The InChIKey is ZNPRMZIZKUZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-9-8(6-10)11-12-13(9)7(2)3/h7H,4-6,10H2,1-3H3.
What are the key properties of (1-propan-2-yl-5-propyltriazol-4-yl)methanamine?
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine has a molecular weight of 182.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-5-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 82207030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).