N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C14H24N6 — CID 131913039

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nn(C(C)C)c(C)c1CNC(C)c1nncn1C
InChIInChI=1S/C14H24N6/c1-9(2)20-12(5)13(10(3)18-20)7-15-11(4)14-17-16-8-19(14)6/h8-9,11,15H,7H2,1-6H3
InChIKeyLBGKNKHTFFNMRM-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.06
Rot. Bonds5

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 131913039) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID131913039
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nn(C(C)C)c(C)c1CNC(C)c1nncn1C
InChIInChI=1S/C14H24N6/c1-9(2)20-12(5)13(10(3)18-20)7-15-11(4)14-17-16-8-19(14)6/h8-9,11,15H,7H2,1-6H3
InChIKeyLBGKNKHTFFNMRM-UHFFFAOYSA-N
XLogP2.06
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 131913039) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cc1nn(C(C)C)c(C)c1CNC(C)c1nncn1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is LBGKNKHTFFNMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-9(2)20-12(5)13(10(3)18-20)7-15-11(4)14-17-16-8-19(14)6/h8-9,11,15H,7H2,1-6H3.
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 276.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 131913039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).