1-(3-propyltriazol-4-yl)pentan-3-amine

C10H20N4 — CID 114690321

IUPAC1-(3-propyltriazol-4-yl)pentan-3-amine
SMILESCCCn1nncc1CCC(N)CC
InChIInChI=1S/C10H20N4/c1-3-7-14-10(8-12-13-14)6-5-9(11)4-2/h8-9H,3-7,11H2,1-2H3
InChIKeyAAKAHVZZYQRWFQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.36
Rot. Bonds6

About 1-(3-propyltriazol-4-yl)pentan-3-amine

1-(3-propyltriazol-4-yl)pentan-3-amine (PubChem CID 114690321) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)pentan-3-amine
PubChem CID114690321
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-(3-propyltriazol-4-yl)pentan-3-amine
SMILESCCCn1nncc1CCC(N)CC
InChIInChI=1S/C10H20N4/c1-3-7-14-10(8-12-13-14)6-5-9(11)4-2/h8-9H,3-7,11H2,1-2H3
InChIKeyAAKAHVZZYQRWFQ-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyltriazol-4-yl)pentan-3-amine?
The IUPAC name of 1-(3-propyltriazol-4-yl)pentan-3-amine (CID 114690321) is 1-(3-propyltriazol-4-yl)pentan-3-amine.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)pentan-3-amine?
The canonical SMILES for 1-(3-propyltriazol-4-yl)pentan-3-amine is CCCn1nncc1CCC(N)CC.
What is the InChIKey of 1-(3-propyltriazol-4-yl)pentan-3-amine?
The InChIKey is AAKAHVZZYQRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-7-14-10(8-12-13-14)6-5-9(11)4-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-propyltriazol-4-yl)pentan-3-amine?
1-(3-propyltriazol-4-yl)pentan-3-amine has a molecular weight of 196.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyltriazol-4-yl)pentan-3-amine is sourced from PubChem (CID 114690321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).