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

C10H12ClF2N5 — CID 107490073

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCCl)CC(F)F)n2ncnc2n1
InChIInChI=1S/C10H12ClF2N5/c1-7-4-9(17(3-2-11)5-8(12)13)18-10(16-7)14-6-15-18/h4,6,8H,2-3,5H2,1H3
InChIKeyPAWWQUMFNQVUAK-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.74
Rot. Bonds5

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

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 107490073) has the molecular formula C10H12ClF2N5 and a molecular weight of 275.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID107490073
Molecular FormulaC10H12ClF2N5
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCCl)CC(F)F)n2ncnc2n1
InChIInChI=1S/C10H12ClF2N5/c1-7-4-9(17(3-2-11)5-8(12)13)18-10(16-7)14-6-15-18/h4,6,8H,2-3,5H2,1H3
InChIKeyPAWWQUMFNQVUAK-UHFFFAOYSA-N
XLogP1.74
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol
CID 115658382
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133285786
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
CID 3512269
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18156188
N-benzyl-N-(2,2-dimethylpropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287633

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 107490073) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(CCCl)CC(F)F)n2ncnc2n1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PAWWQUMFNQVUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N5/c1-7-4-9(17(3-2-11)5-8(12)13)18-10(16-7)14-6-15-18/h4,6,8H,2-3,5H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.69 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 107490073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).