1-(3-propyltriazol-4-yl)ethanamine

C7H14N4 — CID 114687009

IUPAC1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(C)N
InChIInChI=1S/C7H14N4/c1-3-4-11-7(6(2)8)5-9-10-11/h5-6H,3-4,8H2,1-2H3
InChIKeyBOZVCVFBHYBNQU-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.71
Rot. Bonds3

About 1-(3-propyltriazol-4-yl)ethanamine

1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687009) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687009
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(C)N
InChIInChI=1S/C7H14N4/c1-3-4-11-7(6(2)8)5-9-10-11/h5-6H,3-4,8H2,1-2H3
InChIKeyBOZVCVFBHYBNQU-UHFFFAOYSA-N
XLogP0.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(3-propyltriazol-4-yl)ethanamine (CID 114687009) is 1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(C)N.
What is the InChIKey of 1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is BOZVCVFBHYBNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-4-11-7(6(2)8)5-9-10-11/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-propyltriazol-4-yl)ethanamine?
1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 154.22 g/mol, XLogP of 0.71, 3 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)ethanamine is sourced from PubChem (CID 114687009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).