N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H29N5 — CID 53259242

IUPACN-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCCCCCCCC2)n2ncnc2n1
InChIInChI=1S/C18H29N5/c1-15-13-17(23-18(21-15)19-14-20-23)22-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,22H,2-12H2,1H3
InChIKeyKWTZRAULBUONRT-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.52
Rot. Bonds2

About N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53259242) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53259242
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC NameN-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCCCCCCCCC2)n2ncnc2n1
InChIInChI=1S/C18H29N5/c1-15-13-17(23-18(21-15)19-14-20-23)22-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,22H,2-12H2,1H3
InChIKeyKWTZRAULBUONRT-UHFFFAOYSA-N
XLogP4.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trapidil
CID 5531
Cyclohexyl-(2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl)amine
CID 909822
5-Methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-amine
CID 169505
(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3226946
(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-ynyl-amine
CID 645877
Adamantan-2-yl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 650770
5,6-Dimethyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366060
3-bromo-5-methyl-N-[(E)-octadec-9-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366066
5-methyl-N-[(E)-octadec-9-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366067
N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259244

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53259242) is N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCCCCCCCCC2)n2ncnc2n1.
What is the InChIKey of N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KWTZRAULBUONRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-15-13-17(23-18(21-15)19-14-20-23)22-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,22H,2-12H2,1H3.
What are the key properties of N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.46 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53259242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).