1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium

C10H14N7O2+ — CID 176683156

IUPAC1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium
SMILESCOC(=O)Nc1cc(-n2ncnc2C(C)[NH3+])ncn1
InChIInChI=1S/C10H13N7O2/c1-6(11)9-14-5-15-17(9)8-3-7(12-4-13-8)16-10(18)19-2/h3-6H,11H2,1-2H3,(H,12,13,16,18)/p+1
InChIKeyAMFZNLUMQDGNPB-UHFFFAOYSA-O
MW264.27 g/mol
LogP-0.46
Rot. Bonds3

About 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium

1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium (PubChem CID 176683156) has the molecular formula C10H14N7O2+ and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium.

Molecular Properties

Compound Name1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium
PubChem CID176683156
Molecular FormulaC10H14N7O2+
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium
SMILESCOC(=O)Nc1cc(-n2ncnc2C(C)[NH3+])ncn1
InChIInChI=1S/C10H13N7O2/c1-6(11)9-14-5-15-17(9)8-3-7(12-4-13-8)16-10(18)19-2/h3-6H,11H2,1-2H3,(H,12,13,16,18)/p+1
InChIKeyAMFZNLUMQDGNPB-UHFFFAOYSA-O
XLogP-0.46
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium?
The IUPAC name of 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium (CID 176683156) is 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium.
What is the SMILES notation for 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium?
The canonical SMILES for 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium is COC(=O)Nc1cc(-n2ncnc2C(C)[NH3+])ncn1.
What is the InChIKey of 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium?
The InChIKey is AMFZNLUMQDGNPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N7O2/c1-6(11)9-14-5-15-17(9)8-3-7(12-4-13-8)16-10(18)19-2/h3-6H,11H2,1-2H3,(H,12,13,16,18)/p+1.
What are the key properties of 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium?
1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium has a molecular weight of 264.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(methoxycarbonylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethylazanium is sourced from PubChem (CID 176683156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).