2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine

C7H9N7 — CID 130532664

IUPAC2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCn1cc(Nc2ncnc(N)n2)cn1
InChIInChI=1S/C7H9N7/c1-14-3-5(2-11-14)12-7-10-4-9-6(8)13-7/h2-4H,1H3,(H3,8,9,10,12,13)
InChIKeyIIINSMZELHIWMY-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.07
Rot. Bonds2

About 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine

2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532664) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130532664
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCn1cc(Nc2ncnc(N)n2)cn1
InChIInChI=1S/C7H9N7/c1-14-3-5(2-11-14)12-7-10-4-9-6(8)13-7/h2-4H,1H3,(H3,8,9,10,12,13)
InChIKeyIIINSMZELHIWMY-UHFFFAOYSA-N
XLogP-0.07
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572
4-[4-[(1R)-1-aminoethyl]-3-chloro-2-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine
CID 153295517
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 151937131
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
(1-methylpyrazol-4-yl)hydrazine;hydrochloride
CID 154730377
3-(fluoromethyl)-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-ol
CID 176723754
4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 80849841

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 130532664) is 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine is Cn1cc(Nc2ncnc(N)n2)cn1.
What is the InChIKey of 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IIINSMZELHIWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-14-3-5(2-11-14)12-7-10-4-9-6(8)13-7/h2-4H,1H3,(H3,8,9,10,12,13).
What are the key properties of 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 191.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpyrazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).