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

C10H16N6 — CID 86808759

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCCn1cnnc1CNCc1cn[nH]c1C
InChIInChI=1S/C10H16N6/c1-3-16-7-13-15-10(16)6-11-4-9-5-12-14-8(9)2/h5,7,11H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyIVSZFDWWPRRXEV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.62
Rot. Bonds5

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (PubChem CID 86808759) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
PubChem CID86808759
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCCn1cnnc1CNCc1cn[nH]c1C
InChIInChI=1S/C10H16N6/c1-3-16-7-13-15-10(16)6-11-4-9-5-12-14-8(9)2/h5,7,11H,3-4,6H2,1-2H3,(H,12,14)
InChIKeyIVSZFDWWPRRXEV-UHFFFAOYSA-N
XLogP0.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (CID 86808759) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is CCn1cnnc1CNCc1cn[nH]c1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is IVSZFDWWPRRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-16-7-13-15-10(16)6-11-4-9-5-12-14-8(9)2/h5,7,11H,3-4,6H2,1-2H3,(H,12,14).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 220.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 86808759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).