1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

C8H12N6 — CID 62694920

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESCCn1ncnc1Cn1cc(N)cn1
InChIInChI=1S/C8H12N6/c1-2-14-8(10-6-12-14)5-13-4-7(9)3-11-13/h3-4,6H,2,5,9H2,1H3
InChIKeyBNOUKYWUEHCNIN-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.12
Rot. Bonds3

About 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 62694920) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
PubChem CID62694920
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESCCn1ncnc1Cn1cc(N)cn1
InChIInChI=1S/C8H12N6/c1-2-14-8(10-6-12-14)5-13-4-7(9)3-11-13/h3-4,6H,2,5,9H2,1H3
InChIKeyBNOUKYWUEHCNIN-UHFFFAOYSA-N
XLogP0.12
TPSA74.55 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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63771178
methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344628
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
2-amino-N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778855
6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 116788353
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 64799954
1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62721417
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
CID 104505818

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (CID 62694920) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is CCn1ncnc1Cn1cc(N)cn1.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is BNOUKYWUEHCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-2-14-8(10-6-12-14)5-13-4-7(9)3-11-13/h3-4,6H,2,5,9H2,1H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 192.23 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62694920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).