N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine

C13H22N6 — CID 91839558

IUPACN-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1cnnc1CN(C)CCn1ccc(C)n1
InChIInChI=1S/C13H22N6/c1-4-6-18-11-14-15-13(18)10-17(3)8-9-19-7-5-12(2)16-19/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyNHUMKKDVPJYLGG-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.33
Rot. Bonds7

About N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine

N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 91839558) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID91839558
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1cnnc1CN(C)CCn1ccc(C)n1
InChIInChI=1S/C13H22N6/c1-4-6-18-11-14-15-13(18)10-17(3)8-9-19-7-5-12(2)16-19/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyNHUMKKDVPJYLGG-UHFFFAOYSA-N
XLogP1.33
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 91839558) is N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCCn1cnnc1CN(C)CCn1ccc(C)n1.
What is the InChIKey of N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is NHUMKKDVPJYLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-6-18-11-14-15-13(18)10-17(3)8-9-19-7-5-12(2)16-19/h5,7,11H,4,6,8-10H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylpyrazol-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 91839558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).