3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine

C5H7N7 — CID 146204459

IUPAC3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNCn1nnc2c(N)ncnc21
InChIInChI=1S/C5H7N7/c6-1-12-5-3(10-11-12)4(7)8-2-9-5/h2H,1,6H2,(H2,7,8,9)
InChIKeyQTNIIKFHYLPTCU-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.28
Rot. Bonds1

About 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine

3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 146204459) has the molecular formula C5H7N7 and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID146204459
Molecular FormulaC5H7N7
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNCn1nnc2c(N)ncnc21
InChIInChI=1S/C5H7N7/c6-1-12-5-3(10-11-12)4(7)8-2-9-5/h2H,1,6H2,(H2,7,8,9)
InChIKeyQTNIIKFHYLPTCU-UHFFFAOYSA-N
XLogP-1.28
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

sodium 6-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)hexanoic acid
CID 54602738
3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine
CID 167078631
3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
CID 142638159
2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 138684252
1-(1-adamantyl)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)ethanone
CID 15627328
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139295565
3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139296107
3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 138684267
9-phosphorosopurin-6-amine
CID 57110561
8-(2-aminoethyl)purine-6,9-diamine
CID 57290329
(2R,3R,4S,5S)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethylsulfanylmethyl)oxolane-3,4-diol
CID 45269747

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 146204459) is 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine is NCn1nnc2c(N)ncnc21.
What is the InChIKey of 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QTNIIKFHYLPTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7/c6-1-12-5-3(10-11-12)4(7)8-2-9-5/h2H,1,6H2,(H2,7,8,9).
What are the key properties of 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 165.16 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 146204459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).