5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine

C8H8N8 — CID 79521441

IUPAC5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
SMILESCc1nc(N)nn1-c1ncnc2nc[nH]c12
InChIInChI=1S/C8H8N8/c1-4-14-8(9)15-16(4)7-5-6(11-2-10-5)12-3-13-7/h2-3H,1H3,(H2,9,15)(H,10,11,12,13)
InChIKeyHPPVWAWYUUCKIQ-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.18
Rot. Bonds1

About 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine

5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine (PubChem CID 79521441) has the molecular formula C8H8N8 and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
PubChem CID79521441
Molecular FormulaC8H8N8
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
SMILESCc1nc(N)nn1-c1ncnc2nc[nH]c12
InChIInChI=1S/C8H8N8/c1-4-14-8(9)15-16(4)7-5-6(11-2-10-5)12-3-13-7/h2-3H,1H3,(H2,9,15)(H,10,11,12,13)
InChIKeyHPPVWAWYUUCKIQ-UHFFFAOYSA-N
XLogP-0.18
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
CID 62677725
3-[3,5-dimethyl-1-(7H-purin-6-yl)pyrazol-4-yl]propan-1-amine
CID 79225436
2-(7H-purin-6-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348934
5-chloro-3-methyl-1-(7H-purin-6-yl)pyrazole-4-carboxylic acid
CID 55207679
methanol;7H-purin-6-amine
CID 67194832
6-methyl-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazine
CID 170739483
6-(3-phenylpyrazol-1-yl)-7H-purine
CID 66013947
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
(4R)-3-methyl-1-(7H-purin-6-yl)-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135898346
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
CID 114786682
5-methyl-2-(7H-purin-6-yl)-1H-pyrazole-3-thione
CID 62409844

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine (CID 79521441) is 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine is Cc1nc(N)nn1-c1ncnc2nc[nH]c12.
What is the InChIKey of 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine?
The InChIKey is HPPVWAWYUUCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8/c1-4-14-8(9)15-16(4)7-5-6(11-2-10-5)12-3-13-7/h2-3H,1H3,(H2,9,15)(H,10,11,12,13).
What are the key properties of 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine?
5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine has a molecular weight of 216.21 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 79521441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).