1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine

C14H21N5 — CID 105162643

IUPAC1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCCCn1ncnc1CC(N)CCc1ccccn1
InChIInChI=1S/C14H21N5/c1-2-9-19-14(17-11-18-19)10-12(15)6-7-13-5-3-4-8-16-13/h3-5,8,11-12H,2,6-7,9-10,15H2,1H3
InChIKeyJNUZJNNKNOABIN-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.59
Rot. Bonds7

About 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine

1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine (PubChem CID 105162643) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
PubChem CID105162643
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
SMILESCCCn1ncnc1CC(N)CCc1ccccn1
InChIInChI=1S/C14H21N5/c1-2-9-19-14(17-11-18-19)10-12(15)6-7-13-5-3-4-8-16-13/h3-5,8,11-12H,2,6-7,9-10,15H2,1H3
InChIKeyJNUZJNNKNOABIN-UHFFFAOYSA-N
XLogP1.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162519
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105162518
1-ethoxy-4-pyridin-2-ylbutan-2-amine
CID 105165178
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923

Frequently Asked Questions

What is the IUPAC name of 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine (CID 105162643) is 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine is CCCn1ncnc1CC(N)CCc1ccccn1.
What is the InChIKey of 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
The InChIKey is JNUZJNNKNOABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-9-19-14(17-11-18-19)10-12(15)6-7-13-5-3-4-8-16-13/h3-5,8,11-12H,2,6-7,9-10,15H2,1H3.
What are the key properties of 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine?
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105162643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).