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

C4H4N6 — CID 585734

IUPAC2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1ncc2n[nH]nc2n1
InChIInChI=1S/C4H4N6/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H3,5,6,7,8,9,10)
InChIKeyVJCQEPWQSBKWTE-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.67
Rot. Bonds

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

2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 585734) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is 2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID585734
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1ncc2n[nH]nc2n1
InChIInChI=1S/C4H4N6/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H3,5,6,7,8,9,10)
InChIKeyVJCQEPWQSBKWTE-UHFFFAOYSA-N
XLogP-0.67
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CID 70746
2-chloro-7H-purine
CID 519314
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
2-chloro-9-methyl-9H-purine
CID 7147173
Triazolopyrimidine
CID 64962
8-Aza-9-methyladenine
CID 95867
4,7-Diaza-1H-indazole
CID 12913751
Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Dimethylaminopurine
CID 4312426

Frequently Asked Questions

What is the IUPAC name of 2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 2H-triazolo[4,5-d]pyrimidin-5-amine (CID 585734) is 2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 2H-triazolo[4,5-d]pyrimidin-5-amine is Nc1ncc2n[nH]nc2n1.
What is the InChIKey of 2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is VJCQEPWQSBKWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H3,5,6,7,8,9,10).
What are the key properties of 2H-triazolo[4,5-d]pyrimidin-5-amine?
2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 136.12 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 585734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).