3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine

C4H6N8 — CID 167078631

IUPAC3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNNn1nnc2c(N)ncnc21
InChIInChI=1S/C4H6N8/c5-3-2-4(8-1-7-3)12(10-6)11-9-2/h1,10H,6H2,(H2,5,7,8)
InChIKeyAMLVXXCPUNANST-UHFFFAOYSA-N
MW166.15 g/mol
LogP-1.78
Rot. Bonds1

About 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine

3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 167078631) has the molecular formula C4H6N8 and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID167078631
Molecular FormulaC4H6N8
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine
SMILESNNn1nnc2c(N)ncnc21
InChIInChI=1S/C4H6N8/c5-3-2-4(8-1-7-3)12(10-6)11-9-2/h1,10H,6H2,(H2,5,7,8)
InChIKeyAMLVXXCPUNANST-UHFFFAOYSA-N
XLogP-1.78
TPSA120.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 146204459
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139295565
3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
CID 142638159
9-phosphorosopurin-6-amine
CID 57110561
1-(1-adamantyl)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)ethanone
CID 15627328
sodium 6-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)hexanoic acid
CID 54602738
3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 138684267
(6-aminopurin-9-yl)urea
CID 57269838
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 138684252
3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139296107

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine (CID 167078631) is 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine is NNn1nnc2c(N)ncnc21.
What is the InChIKey of 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is AMLVXXCPUNANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N8/c5-3-2-4(8-1-7-3)12(10-6)11-9-2/h1,10H,6H2,(H2,5,7,8).
What are the key properties of 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine?
3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 166.15 g/mol, XLogP of -1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 167078631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).