2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H15N9 — CID 80782682

IUPAC2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Cn1ccnc1)Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H15N9/c1-9(7-20-6-4-14-8-20)16-11-17-10(13)18-12(19-11)21-5-2-3-15-21/h2-6,8-9H,7H2,1H3,(H3,13,16,17,18,19)
InChIKeyAUJQEIGBJLDARO-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.34
Rot. Bonds5

About 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80782682) has the molecular formula C12H15N9 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80782682
Molecular FormulaC12H15N9
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Cn1ccnc1)Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H15N9/c1-9(7-20-6-4-14-8-20)16-11-17-10(13)18-12(19-11)21-5-2-3-15-21/h2-6,8-9H,7H2,1H3,(H3,13,16,17,18,19)
InChIKeyAUJQEIGBJLDARO-UHFFFAOYSA-N
XLogP0.34
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784918
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80809032
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
2-N-(4-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80784608
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80792547
6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 80824466

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80782682) is 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CC(Cn1ccnc1)Nc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AUJQEIGBJLDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9/c1-9(7-20-6-4-14-8-20)16-11-17-10(13)18-12(19-11)21-5-2-3-15-21/h2-6,8-9H,7H2,1H3,(H3,13,16,17,18,19).
What are the key properties of 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).