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

C9H12ClN7 — CID 80809032

IUPAC6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Cn1cccn1)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H12ClN7/c1-6(5-17-4-2-3-12-17)13-9-15-7(10)14-8(11)16-9/h2-4,6H,5H2,1H3,(H3,11,13,14,15,16)
InChIKeyGQCOZFAURCMVKQ-UHFFFAOYSA-N
MW253.70 g/mol
LogP0.80
Rot. Bonds4

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

6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80809032) has the molecular formula C9H12ClN7 and a molecular weight of 253.70 g/mol. Its IUPAC name is 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80809032
Molecular FormulaC9H12ClN7
Molecular Weight253.70 g/mol
Exact Mass253.08
IUPAC Name6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Cn1cccn1)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H12ClN7/c1-6(5-17-4-2-3-12-17)13-9-15-7(10)14-8(11)16-9/h2-4,6H,5H2,1H3,(H3,11,13,14,15,16)
InChIKeyGQCOZFAURCMVKQ-UHFFFAOYSA-N
XLogP0.80
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 62859672
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
6-N-ethyl-2-N-(1-pyrazol-1-ylpropan-2-yl)pyrazine-2,6-diamine
CID 78990628
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
4-chloro-2-methyl-6-(1-pyrazol-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 80732783
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 57003414

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80809032) is 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Cn1cccn1)Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GQCOZFAURCMVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN7/c1-6(5-17-4-2-3-12-17)13-9-15-7(10)14-8(11)16-9/h2-4,6H,5H2,1H3,(H3,11,13,14,15,16).
What are the key properties of 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.70 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80809032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).