3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine

C7H15N5 — CID 114419828

IUPAC3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
SMILESCC(N)c1cn(CCCN)nn1
InChIInChI=1S/C7H15N5/c1-6(9)7-5-12(11-10-7)4-2-3-8/h5-6H,2-4,8-9H2,1H3
InChIKeyYZMXJOBMTUHBFT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.35
Rot. Bonds4

About 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine

3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine (PubChem CID 114419828) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
PubChem CID114419828
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
SMILESCC(N)c1cn(CCCN)nn1
InChIInChI=1S/C7H15N5/c1-6(9)7-5-12(11-10-7)4-2-3-8/h5-6H,2-4,8-9H2,1H3
InChIKeyYZMXJOBMTUHBFT-UHFFFAOYSA-N
XLogP-0.35
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
CID 114420179
1-[1-(3-ethylsulfanylpropyl)triazol-4-yl]ethanamine
CID 114419560
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]triazol-4-yl]ethanamine
CID 103014135
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
1-[1-[3-(3,4-dimethylphenoxy)propyl]triazol-4-yl]ethanamine
CID 114419864
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
CID 106729351
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine (CID 114419828) is 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine is CC(N)c1cn(CCCN)nn1.
What is the InChIKey of 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine?
The InChIKey is YZMXJOBMTUHBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-6(9)7-5-12(11-10-7)4-2-3-8/h5-6H,2-4,8-9H2,1H3.
What are the key properties of 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine?
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine is sourced from PubChem (CID 114419828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).