(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine

C10H11N7 — CID 114402069

IUPAC(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine
SMILESCn1cc(C(N)c2nc3ncncc3[nH]2)cn1
InChIInChI=1S/C10H11N7/c1-17-4-6(2-14-17)8(11)10-15-7-3-12-5-13-9(7)16-10/h2-5,8H,11H2,1H3,(H,12,13,15,16)
InChIKeyPTNRIXLDGCVOOX-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.13
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine

(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine (PubChem CID 114402069) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine
PubChem CID114402069
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine
SMILESCn1cc(C(N)c2nc3ncncc3[nH]2)cn1
InChIInChI=1S/C10H11N7/c1-17-4-6(2-14-17)8(11)10-15-7-3-12-5-13-9(7)16-10/h2-5,8H,11H2,1H3,(H,12,13,15,16)
InChIKeyPTNRIXLDGCVOOX-UHFFFAOYSA-N
XLogP0.13
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113279600
(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288641
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 104574201
(1-methylpyrazol-4-yl)-(6-methylsulfonyl-1H-benzimidazol-2-yl)methanamine
CID 115288620
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 115528737
1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine
CID 71104814
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine
CID 61149466
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230377
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine (CID 114402069) is (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine is Cn1cc(C(N)c2nc3ncncc3[nH]2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine?
The InChIKey is PTNRIXLDGCVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c1-17-4-6(2-14-17)8(11)10-15-7-3-12-5-13-9(7)16-10/h2-5,8H,11H2,1H3,(H,12,13,15,16).
What are the key properties of (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine?
(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine has a molecular weight of 229.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine is sourced from PubChem (CID 114402069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).