3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine

C14H24N6 — CID 131943796

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)CCn1cnnc1C
InChIInChI=1S/C14H24N6/c1-11-14(12(2)17-16-11)6-5-7-19(4)8-9-20-10-15-18-13(20)3/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyLRIGCCAQHHVJJO-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.49
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine (PubChem CID 131943796) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine
PubChem CID131943796
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)CCn1cnnc1C
InChIInChI=1S/C14H24N6/c1-11-14(12(2)17-16-11)6-5-7-19(4)8-9-20-10-15-18-13(20)3/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyLRIGCCAQHHVJJO-UHFFFAOYSA-N
XLogP1.49
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine (CID 131943796) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine is Cc1n[nH]c(C)c1CCCN(C)CCn1cnnc1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine?
The InChIKey is LRIGCCAQHHVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-11-14(12(2)17-16-11)6-5-7-19(4)8-9-20-10-15-18-13(20)3/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine has a molecular weight of 276.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 131943796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).