methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate

C10H14N6O2 — CID 107344628

IUPACmethyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate
SMILESCCn1ncnc1Cn1cc(N)c(C(=O)OC)n1
InChIInChI=1S/C10H14N6O2/c1-3-16-8(12-6-13-16)5-15-4-7(11)9(14-15)10(17)18-2/h4,6H,3,5,11H2,1-2H3
InChIKeyOGROBUCKGYYAPT-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.09
Rot. Bonds4

About methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate

methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate (PubChem CID 107344628) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate
PubChem CID107344628
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Namemethyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate
SMILESCCn1ncnc1Cn1cc(N)c(C(=O)OC)n1
InChIInChI=1S/C10H14N6O2/c1-3-16-8(12-6-13-16)5-15-4-7(11)9(14-15)10(17)18-2/h4,6H,3,5,11H2,1-2H3
InChIKeyOGROBUCKGYYAPT-UHFFFAOYSA-N
XLogP-0.09
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate (CID 107344628) is methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate is CCn1ncnc1Cn1cc(N)c(C(=O)OC)n1.
What is the InChIKey of methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is OGROBUCKGYYAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-3-16-8(12-6-13-16)5-15-4-7(11)9(14-15)10(17)18-2/h4,6H,3,5,11H2,1-2H3.
What are the key properties of methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate?
methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107344628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).