N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

C14H24N6 — CID 107053678

IUPACN-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(C)nn(Cc2cn(C)nn2)c1C
InChIInChI=1S/C14H24N6/c1-6-7-15-10(2)14-11(3)17-20(12(14)4)9-13-8-19(5)18-16-13/h8,10,15H,6-7,9H2,1-5H3
InChIKeyPAGMNNZMLPHPMY-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.74
Rot. Bonds6

About N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 107053678) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID107053678
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(C)nn(Cc2cn(C)nn2)c1C
InChIInChI=1S/C14H24N6/c1-6-7-15-10(2)14-11(3)17-20(12(14)4)9-13-8-19(5)18-16-13/h8,10,15H,6-7,9H2,1-5H3
InChIKeyPAGMNNZMLPHPMY-UHFFFAOYSA-N
XLogP1.74
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 107042795
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 107053743
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carbaldehyde
CID 107045387
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 107051964
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
N-[1-[1-(1,3-dimethylpyrazol-4-yl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 102806980
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62730637
1-[3,5-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 103014921

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (CID 107053678) is N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1c(C)nn(Cc2cn(C)nn2)c1C.
What is the InChIKey of N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is PAGMNNZMLPHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-6-7-15-10(2)14-11(3)17-20(12(14)4)9-13-8-19(5)18-16-13/h8,10,15H,6-7,9H2,1-5H3.
What are the key properties of N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 276.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107053678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).