N-(1-methylpyrazol-3-yl)-7H-purin-6-amine

C9H9N7 — CID 79778598

IUPACN-(1-methylpyrazol-3-yl)-7H-purin-6-amine
SMILESCn1ccc(Nc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C9H9N7/c1-16-3-2-6(15-16)14-9-7-8(11-4-10-7)12-5-13-9/h2-5H,1H3,(H2,10,11,12,13,14,15)
InChIKeyVELIDBRRJAYMFY-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.83
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-7H-purin-6-amine

N-(1-methylpyrazol-3-yl)-7H-purin-6-amine (PubChem CID 79778598) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-7H-purin-6-amine
PubChem CID79778598
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN-(1-methylpyrazol-3-yl)-7H-purin-6-amine
SMILESCn1ccc(Nc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C9H9N7/c1-16-3-2-6(15-16)14-9-7-8(11-4-10-7)12-5-13-9/h2-5H,1H3,(H2,10,11,12,13,14,15)
InChIKeyVELIDBRRJAYMFY-UHFFFAOYSA-N
XLogP0.83
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
CID 136976348
6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 79779291
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(7H-purin-6-yl)hydroxylamine
CID 21876
(7H-purin-6-ylamino)methanol
CID 86209273
N-ethynyl-7H-purin-6-amine
CID 149150295
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
ethane;N-methylsulfanyl-7H-purin-6-amine
CID 144670169
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-7H-purin-6-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-7H-purin-6-amine (CID 79778598) is N-(1-methylpyrazol-3-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-7H-purin-6-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-7H-purin-6-amine is Cn1ccc(Nc2ncnc3nc[nH]c23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-7H-purin-6-amine?
The InChIKey is VELIDBRRJAYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-16-3-2-6(15-16)14-9-7-8(11-4-10-7)12-5-13-9/h2-5H,1H3,(H2,10,11,12,13,14,15).
What are the key properties of N-(1-methylpyrazol-3-yl)-7H-purin-6-amine?
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine has a molecular weight of 215.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 79778598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).