N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H18ClN5 — CID 114146717

IUPACN-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCC(Cl)C2)n2ncnc2n1
InChIInChI=1S/C13H18ClN5/c1-9-5-12(19-13(18-9)16-8-17-19)15-7-10-3-2-4-11(14)6-10/h5,8,10-11,15H,2-4,6-7H2,1H3
InChIKeyYRVRSYXMFDILPI-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.64
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 114146717) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID114146717
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCC(Cl)C2)n2ncnc2n1
InChIInChI=1S/C13H18ClN5/c1-9-5-12(19-13(18-9)16-8-17-19)15-7-10-3-2-4-11(14)6-10/h5,8,10-11,15H,2-4,6-7H2,1H3
InChIKeyYRVRSYXMFDILPI-UHFFFAOYSA-N
XLogP2.64
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106128208
N-[(2,2-difluorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146130247
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86972141
N-(cyclohexylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227275
N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 114146703
5-methyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95314538
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293413
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
CID 103703392
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 104973121
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 114146717) is N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2CCCC(Cl)C2)n2ncnc2n1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YRVRSYXMFDILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-9-5-12(19-13(18-9)16-8-17-19)15-7-10-3-2-4-11(14)6-10/h5,8,10-11,15H,2-4,6-7H2,1H3.
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.77 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 114146717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).