N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H19N5 — CID 1429532

IUPACN-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CCCCC2)c1C
InChIInChI=1S/C13H19N5/c1-9-10(2)16-13-14-8-15-18(13)12(9)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3
InChIKeyGTQXFHYDBXATNO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.49
Rot. Bonds2

About N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1429532) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1429532
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CCCCC2)c1C
InChIInChI=1S/C13H19N5/c1-9-10(2)16-13-14-8-15-18(13)12(9)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3
InChIKeyGTQXFHYDBXATNO-UHFFFAOYSA-N
XLogP2.49
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ametoctradin
CID 15604010
1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-ynyl-amine
CID 653352
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3226946
4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
CID 137148836
N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259244
7-Methyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671186
8-n-Butyl-6,7-dihydro-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidin
CID 12671194
8-sec-Butyl-6,7-dihydro-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidine
CID 12671198

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1429532) is N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NC2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GTQXFHYDBXATNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-10(2)16-13-14-8-15-18(13)12(9)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1429532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).