1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C9H14N6 — CID 43703312

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ccn[nH]1)c1nncn1C
InChIInChI=1S/C9H14N6/c1-7(9-14-12-6-15(9)2)10-5-8-3-4-11-13-8/h3-4,6-7,10H,5H2,1-2H3,(H,11,13)
InChIKeyNJIKHVCOQBESJM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.39
Rot. Bonds4

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 43703312) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID43703312
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ccn[nH]1)c1nncn1C
InChIInChI=1S/C9H14N6/c1-7(9-14-12-6-15(9)2)10-5-8-3-4-11-13-8/h3-4,6-7,10H,5H2,1-2H3,(H,11,13)
InChIKeyNJIKHVCOQBESJM-UHFFFAOYSA-N
XLogP0.39
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 43703312) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is CC(NCc1ccn[nH]1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is NJIKHVCOQBESJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7(9-14-12-6-15(9)2)10-5-8-3-4-11-13-8/h3-4,6-7,10H,5H2,1-2H3,(H,11,13).
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 206.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 43703312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).