3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine

C11H18N6 — CID 142638159

IUPAC3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCC(CCC)n1nnc2c(N)ncnc21
InChIInChI=1S/C11H18N6/c1-3-5-8(6-4-2)17-11-9(15-16-17)10(12)13-7-14-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyDFTJMNKEBAHDKE-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.94
Rot. Bonds5

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

3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 142638159) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID142638159
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCC(CCC)n1nnc2c(N)ncnc21
InChIInChI=1S/C11H18N6/c1-3-5-8(6-4-2)17-11-9(15-16-17)10(12)13-7-14-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyDFTJMNKEBAHDKE-UHFFFAOYSA-N
XLogP1.94
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 146204459
3-hydrazinyltriazolo[4,5-d]pyrimidin-7-amine
CID 167078631
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
9-(1-aminopentyl)purin-6-amine
CID 174938588
3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139296107
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
3-pentan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 170237895
3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139295565
2-amino-9-propan-2-yl-1H-purin-6-one;9-propan-2-ylpurin-6-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 160504093
1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022431
3-(3-methylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 138684267
sodium 6-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)hexanoic acid
CID 54602738

Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine (CID 142638159) is 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine is CCCC(CCC)n1nnc2c(N)ncnc21.
What is the InChIKey of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DFTJMNKEBAHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-5-8(6-4-2)17-11-9(15-16-17)10(12)13-7-14-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine?
3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 234.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 142638159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).