3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine

C8H12N6 — CID 130486189

IUPAC3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine
SMILESCCn1nncc1Nc1cnn(C)c1
InChIInChI=1S/C8H12N6/c1-3-14-8(5-9-12-14)11-7-4-10-13(2)6-7/h4-6,11H,3H2,1-2H3
InChIKeyKVONACNPTCMHMX-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.78
Rot. Bonds3

About 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine

3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine (PubChem CID 130486189) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine
PubChem CID130486189
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine
SMILESCCn1nncc1Nc1cnn(C)c1
InChIInChI=1S/C8H12N6/c1-3-14-8(5-9-12-14)11-7-4-10-13(2)6-7/h4-6,11H,3H2,1-2H3
InChIKeyKVONACNPTCMHMX-UHFFFAOYSA-N
XLogP0.78
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine?
The IUPAC name of 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine (CID 130486189) is 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine?
The canonical SMILES for 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine is CCn1nncc1Nc1cnn(C)c1.
What is the InChIKey of 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine?
The InChIKey is KVONACNPTCMHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-14-8(5-9-12-14)11-7-4-10-13(2)6-7/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine?
3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine has a molecular weight of 192.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine is sourced from PubChem (CID 130486189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).