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

C7H9N7 — CID 83619125

IUPAC2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1[nH]ncc1Nc1ncnc(N)n1
InChIInChI=1S/C7H9N7/c1-4-5(2-11-14-4)12-7-10-3-9-6(8)13-7/h2-3H,1H3,(H,11,14)(H3,8,9,10,12,13)
InChIKeyHBBKWBNTHYQJNE-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.23
Rot. Bonds2

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

2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 83619125) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID83619125
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1[nH]ncc1Nc1ncnc(N)n1
InChIInChI=1S/C7H9N7/c1-4-5(2-11-14-4)12-7-10-3-9-6(8)13-7/h2-3H,1H3,(H,11,14)(H3,8,9,10,12,13)
InChIKeyHBBKWBNTHYQJNE-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)-1,3,5-triazine-2,4-diamine
CID 83619053
2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730318
2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
CID 115017562
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130532664
2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2782901
4-N-cyclopropyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141336716
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane
CID 142483327
6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
CID 158478502
4-[(5-methyl-1H-pyrazol-4-yl)amino]benzoic acid
CID 115029933
2-N-pyridin-2-yl-1,3,5-triazine-2,4-diamine
CID 15184533

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 83619125) is 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine is Cc1[nH]ncc1Nc1ncnc(N)n1.
What is the InChIKey of 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HBBKWBNTHYQJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-4-5(2-11-14-4)12-7-10-3-9-6(8)13-7/h2-3H,1H3,(H,11,14)(H3,8,9,10,12,13).
What are the key properties of 2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-(5-methyl-1H-pyrazol-4-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-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83619125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).