6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine

C17H19N9 — CID 167249982

IUPAC6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)n1ccc(CNc2nc(N)nc(-c3ccc4cn[nH]c4c3)n2)n1
InChIInChI=1S/C17H19N9/c1-10(2)26-6-5-13(25-26)9-19-17-22-15(21-16(18)23-17)11-3-4-12-8-20-24-14(12)7-11/h3-8,10H,9H2,1-2H3,(H,20,24)(H3,18,19,21,22,23)
InChIKeyVUBUFKBQCBDCAW-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.39
Rot. Bonds5

About 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine

6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 167249982) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID167249982
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)n1ccc(CNc2nc(N)nc(-c3ccc4cn[nH]c4c3)n2)n1
InChIInChI=1S/C17H19N9/c1-10(2)26-6-5-13(25-26)9-19-17-22-15(21-16(18)23-17)11-3-4-12-8-20-24-14(12)7-11/h3-8,10H,9H2,1-2H3,(H,20,24)(H3,18,19,21,22,23)
InChIKeyVUBUFKBQCBDCAW-UHFFFAOYSA-N
XLogP2.39
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine 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 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 167249982) is 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CC(C)n1ccc(CNc2nc(N)nc(-c3ccc4cn[nH]c4c3)n2)n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VUBUFKBQCBDCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-10(2)26-6-5-13(25-26)9-19-17-22-15(21-16(18)23-17)11-3-4-12-8-20-24-14(12)7-11/h3-8,10H,9H2,1-2H3,(H,20,24)(H3,18,19,21,22,23).
What are the key properties of 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 349.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167249982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).