1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine

C10H17N7 — CID 66012067

IUPAC1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1nncn1C
InChIInChI=1S/C10H17N7/c1-4-17-10(9(11)7(2)15-17)12-5-8-14-13-6-16(8)3/h6,12H,4-5,11H2,1-3H3
InChIKeyBCGVIWAEQKQZFP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.53
Rot. Bonds4

About 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine (PubChem CID 66012067) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
PubChem CID66012067
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1nncn1C
InChIInChI=1S/C10H17N7/c1-4-17-10(9(11)7(2)15-17)12-5-8-14-13-6-16(8)3/h6,12H,4-5,11H2,1-3H3
InChIKeyBCGVIWAEQKQZFP-UHFFFAOYSA-N
XLogP0.53
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
CID 66013608
1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66013825
1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine
CID 66013633
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276447
5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66013047
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
2-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,4-diamine
CID 62118995
4,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 65169645
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine (CID 66012067) is 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCc1nncn1C.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine?
The InChIKey is BCGVIWAEQKQZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-4-17-10(9(11)7(2)15-17)12-5-8-14-13-6-16(8)3/h6,12H,4-5,11H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine has a molecular weight of 235.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66012067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).