N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

C11H15N5 — CID 134088447

IUPACN-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
SMILESc1cnc2nnc(NC3CCCCC3)n2c1
InChIInChI=1S/C11H15N5/c1-2-5-9(6-3-1)13-11-15-14-10-12-7-4-8-16(10)11/h4,7-9H,1-3,5-6H2,(H,13,15)
InChIKeyMZICGSXJNAQVOT-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.87
Rot. Bonds2

About N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine (PubChem CID 134088447) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
PubChem CID134088447
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
SMILESc1cnc2nnc(NC3CCCCC3)n2c1
InChIInChI=1S/C11H15N5/c1-2-5-9(6-3-1)13-11-15-14-10-12-7-4-8-16(10)11/h4,7-9H,1-3,5-6H2,(H,13,15)
InChIKeyMZICGSXJNAQVOT-UHFFFAOYSA-N
XLogP1.87
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,4]Triazolo[4,3-a]pyrimidine
CID 346171
[1,2,4]Triazolo[4,3-a]pyrimidin-3-amine
CID 46942170
[1,2,4]Triazolo[4,3-A]pyrimidin-5-amine
CID 124707589
N-cyclohexyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 5338876
N-ethyl-1-pyrimidin-2-yl-1,2,4-triazol-3-amine
CID 58883311
N-ethyl-2-pyrimidin-2-yl-1,2,4-triazol-3-amine
CID 58883325
3-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976128
5-N-ethyl-1-pyrimidin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976229
N-cyclohexylimidazo[1,2-a]pyrimidin-6-amine
CID 67445098
7-Piperazin-1-yl[1,2,4]triazolo[4,3-a]pyrimidine
CID 71668927
1-{[1,2,4]Triazolo[4,3-a]pyrimidin-3-yl}ethan-1-amine hydrochloride
CID 71755667
2-(4-[1,2,4]Triazol-1-ylpiperidin-1-yl)pyrimidin-4-ylamine
CID 90178282

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The IUPAC name of N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine (CID 134088447) is N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine.
What is the SMILES notation for N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The canonical SMILES for N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine is c1cnc2nnc(NC3CCCCC3)n2c1.
What is the InChIKey of N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The InChIKey is MZICGSXJNAQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-5-9(6-3-1)13-11-15-14-10-12-7-4-8-16(10)11/h4,7-9H,1-3,5-6H2,(H,13,15).
What are the key properties of N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine has a molecular weight of 217.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine is sourced from PubChem (CID 134088447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).