N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

C18H30N6 — CID 7584411

IUPACN-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NC3CCCCCCCCCCC3)ncnc21
InChIInChI=1S/C18H30N6/c1-2-24-18-16(22-23-24)17(19-14-20-18)21-15-12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,2-13H2,1H3,(H,19,20,21)
InChIKeyFBAUJIRQOVBMRC-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.33
Rot. Bonds3

About N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584411) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584411
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC NameN-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NC3CCCCCCCCCCC3)ncnc21
InChIInChI=1S/C18H30N6/c1-2-24-18-16(22-23-24)17(19-14-20-18)21-15-12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,2-13H2,1H3,(H,19,20,21)
InChIKeyFBAUJIRQOVBMRC-UHFFFAOYSA-N
XLogP4.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (CID 7584411) is N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(NC3CCCCCCCCCCC3)ncnc21.
What is the InChIKey of N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FBAUJIRQOVBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-2-24-18-16(22-23-24)17(19-14-20-18)21-15-12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,2-13H2,1H3,(H,19,20,21).
What are the key properties of N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 330.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).