5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine

C18H24N8 — CID 68645648

IUPAC5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCn1nnc2c(Nc3ccccc3)nc(NC3CCC(N)CC3)nc21
InChIInChI=1S/C18H24N8/c1-2-26-17-15(24-25-26)16(20-13-6-4-3-5-7-13)22-18(23-17)21-14-10-8-12(19)9-11-14/h3-7,12,14H,2,8-11,19H2,1H3,(H2,20,21,22,23)
InChIKeyAKIOPMLDSJYUQB-UHFFFAOYSA-N
MW352.45 g/mol
LogP2.67
Rot. Bonds5

About 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 68645648) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID68645648
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCn1nnc2c(Nc3ccccc3)nc(NC3CCC(N)CC3)nc21
InChIInChI=1S/C18H24N8/c1-2-26-17-15(24-25-26)16(20-13-6-4-3-5-7-13)22-18(23-17)21-14-10-8-12(19)9-11-14/h3-7,12,14H,2,8-11,19H2,1H3,(H2,20,21,22,23)
InChIKeyAKIOPMLDSJYUQB-UHFFFAOYSA-N
XLogP2.67
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine (CID 68645648) is 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine is CCn1nnc2c(Nc3ccccc3)nc(NC3CCC(N)CC3)nc21.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is AKIOPMLDSJYUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-2-26-17-15(24-25-26)16(20-13-6-4-3-5-7-13)22-18(23-17)21-14-10-8-12(19)9-11-14/h3-7,12,14H,2,8-11,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 352.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 68645648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).