4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

C12H15N9 — CID 71912078

IUPAC4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCN(Cc1ncnn1C)c1ncnc(-n2cccn2)c1N
InChIInChI=1S/C12H15N9/c1-19(6-9-14-8-18-20(9)2)11-10(13)12(16-7-15-11)21-5-3-4-17-21/h3-5,7-8H,6,13H2,1-2H3
InChIKeyUIOKNHVBCOWSMO-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.01
Rot. Bonds4

About 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 71912078) has the molecular formula C12H15N9 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID71912078
Molecular FormulaC12H15N9
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCN(Cc1ncnn1C)c1ncnc(-n2cccn2)c1N
InChIInChI=1S/C12H15N9/c1-19(6-9-14-8-18-20(9)2)11-10(13)12(16-7-15-11)21-5-3-4-17-21/h3-5,7-8H,6,13H2,1-2H3
InChIKeyUIOKNHVBCOWSMO-UHFFFAOYSA-N
XLogP0.01
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 71912078) is 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is CN(Cc1ncnn1C)c1ncnc(-n2cccn2)c1N.
What is the InChIKey of 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is UIOKNHVBCOWSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9/c1-19(6-9-14-8-18-20(9)2)11-10(13)12(16-7-15-11)21-5-3-4-17-21/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 285.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 71912078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).