7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine

C5H6N6 — CID 83681276

IUPAC7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1nc(N)nc2n[nH]nc12
InChIInChI=1S/C5H6N6/c1-2-3-4(10-11-9-3)8-5(6)7-2/h1H3,(H3,6,7,8,9,10,11)
InChIKeyPPWVAABVTHYCGO-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.36
Rot. Bonds

About 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine

7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 83681276) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID83681276
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1nc(N)nc2n[nH]nc12
InChIInChI=1S/C5H6N6/c1-2-3-4(10-11-9-3)8-5(6)7-2/h1H3,(H3,6,7,8,9,10,11)
InChIKeyPPWVAABVTHYCGO-UHFFFAOYSA-N
XLogP-0.36
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CID 70746
2,6-Diamino-8-azapurine
CID 173631
1H-v-Triazolo(4,5-d)pyrimidine, 7-amino-5-(methylthio)-
CID 97578
1H-Purine, 2,6,8-trimethyl-
CID 12134106
4,6-Dimethyl-1,2,4,5,8,10,11,12-octazatricyclo[7.3.0.03,7]dodeca-2,5,7,9,11-pentaene
CID 171344439
7-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 6418165
3,7-dimethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 12372494
1,2,3-Triazolo(5',4'-4,5)pyrimidine, 6-methyl-2-methylthio-
CID 171384522
1,3,5-Trimethyl-1h-pyrazolo[4,3-e][1,2,4]triazine
CID 129709559
Methyldichlorpurin
CID 22948411
2,6-dimethyl-7H-purin-8-amine
CID 53759493
Dimethyl 2-amino purine
CID 66980693

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 83681276) is 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine is Cc1nc(N)nc2n[nH]nc12.
What is the InChIKey of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is PPWVAABVTHYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-2-3-4(10-11-9-3)8-5(6)7-2/h1H3,(H3,6,7,8,9,10,11).
What are the key properties of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 150.14 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 83681276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).