1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine

C15H26N6 — CID 131923791

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(CC(C)NCCc2nncn2C(C)C)n1
InChIInChI=1S/C15H26N6/c1-11(2)20-10-17-18-15(20)6-7-16-13(4)9-21-14(5)8-12(3)19-21/h8,10-11,13,16H,6-7,9H2,1-5H3
InChIKeyZZYHKKXMLOKGDC-UHFFFAOYSA-N
MW290.42 g/mol
LogP1.89
Rot. Bonds7

About 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (PubChem CID 131923791) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
PubChem CID131923791
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(CC(C)NCCc2nncn2C(C)C)n1
InChIInChI=1S/C15H26N6/c1-11(2)20-10-17-18-15(20)6-7-16-13(4)9-21-14(5)8-12(3)19-21/h8,10-11,13,16H,6-7,9H2,1-5H3
InChIKeyZZYHKKXMLOKGDC-UHFFFAOYSA-N
XLogP1.89
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 125445317
2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115876465
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide
CID 95209232
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 95200660
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97205590
4-[[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]methyl]benzenesulfonamide
CID 131930276
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420
2,3,5,6-tetrafluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 133372907
N-(2,5-dimethylphenyl)-3-[[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95144262

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (CID 131923791) is 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is Cc1cc(C)n(CC(C)NCCc2nncn2C(C)C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The InChIKey is ZZYHKKXMLOKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-11(2)20-10-17-18-15(20)6-7-16-13(4)9-21-14(5)8-12(3)19-21/h8,10-11,13,16H,6-7,9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine has a molecular weight of 290.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 131923791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).