2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C7H9N7 — CID 83619053

IUPAC2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2ncnc(N)n2)n[nH]1
InChIInChI=1S/C7H9N7/c1-4-2-5(14-13-4)11-7-10-3-9-6(8)12-7/h2-3H,1H3,(H4,8,9,10,11,12,13,14)
InChIKeyOCJDFAOEAOOENQ-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.23
Rot. Bonds2

About 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 83619053) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID83619053
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Nc2ncnc(N)n2)n[nH]1
InChIInChI=1S/C7H9N7/c1-4-2-5(14-13-4)11-7-10-3-9-6(8)12-7/h2-3H,1H3,(H4,8,9,10,11,12,13,14)
InChIKeyOCJDFAOEAOOENQ-UHFFFAOYSA-N
XLogP0.23
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 154274920
2-N-pyridin-2-yl-1,3,5-triazine-2,4-diamine
CID 15184533
2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730318
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
N-(5-methyl-1H-pyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 90245634
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166774034
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880742
2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2782901
N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382908
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-methylsulfonylpyrimidin-4-amine
CID 90161199
2-(4-aminophenyl)sulfanyl-6-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87510293

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 83619053) is 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(Nc2ncnc(N)n2)n[nH]1.
What is the InChIKey of 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OCJDFAOEAOOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-4-2-5(14-13-4)11-7-10-3-9-6(8)12-7/h2-3H,1H3,(H4,8,9,10,11,12,13,14).
What are the key properties of 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 191.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83619053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).