3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine

C15H18N6 — CID 103030204

IUPAC3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H18N6/c1-20-11-12(9-17-20)7-8-14(16)15-10-18-21(19-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3
InChIKeyRUVAIVFWBVPFEQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.63
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine

3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine (PubChem CID 103030204) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
PubChem CID103030204
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H18N6/c1-20-11-12(9-17-20)7-8-14(16)15-10-18-21(19-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3
InChIKeyRUVAIVFWBVPFEQ-UHFFFAOYSA-N
XLogP1.63
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 105291066
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
4-methylsulfonyl-1-(2-phenyltriazol-4-yl)butan-1-amine
CID 105112966
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 103030073
5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine
CID 103030099
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030201
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 107065645

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine (CID 103030204) is 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine is Cn1cc(CCC(N)c2cnn(-c3ccccc3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine?
The InChIKey is RUVAIVFWBVPFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-11-12(9-17-20)7-8-14(16)15-10-18-21(19-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine?
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 103030204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).