1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine

C13H18N4 — CID 105184520

IUPAC1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine
SMILESCn1nncc1C(N)CCCc1ccccc1
InChIInChI=1S/C13H18N4/c1-17-13(10-15-16-17)12(14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,14H2,1H3
InChIKeyCBNZMDNLPJTRDY-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.84
Rot. Bonds5

About 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine

1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine (PubChem CID 105184520) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine
PubChem CID105184520
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine
SMILESCn1nncc1C(N)CCCc1ccccc1
InChIInChI=1S/C13H18N4/c1-17-13(10-15-16-17)12(14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,14H2,1H3
InChIKeyCBNZMDNLPJTRDY-UHFFFAOYSA-N
XLogP1.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-hexyl-triazole
CID 54772019
1-Benzyl-4-cyclohexyl-1 h-1,2,3-triazole
CID 54772021
N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine
CID 132579938
(2R)-4-(4-methyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 147962139
(2R)-4-(4-tert-butyltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 149481187
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1-Benzyl-4-octyl-triazole
CID 10423341
1-Ethyl-4-phenyltriazole
CID 22944458
1-Benzyl-4-butyl-1H-1,2,3-triazole
CID 24887144
1-Butyl-4-phenyltriazole
CID 45378439

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine (CID 105184520) is 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine is Cn1nncc1C(N)CCCc1ccccc1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine?
The InChIKey is CBNZMDNLPJTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-13(10-15-16-17)12(14)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,14H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine?
1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 105184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).