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

C11H16ClN5 — CID 63392205

IUPACN-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCCl)C(C)C)n2ncnc2n1
InChIInChI=1S/C11H16ClN5/c1-8(2)16(5-4-12)10-6-9(3)15-11-13-7-14-17(10)11/h6-8H,4-5H2,1-3H3
InChIKeyUMVIRNOEGACLMG-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.89
Rot. Bonds4

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

N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 63392205) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID63392205
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC NameN-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCCl)C(C)C)n2ncnc2n1
InChIInChI=1S/C11H16ClN5/c1-8(2)16(5-4-12)10-6-9(3)15-11-13-7-14-17(10)11/h6-8H,4-5H2,1-3H3
InChIKeyUMVIRNOEGACLMG-UHFFFAOYSA-N
XLogP1.89
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.89
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

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid
CID 55021059
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107490073
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133285786
3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 133445874
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
CID 100672955
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)-N-propylethane-1,2-diamine
CID 55090908
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 63392205) is N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(CCCl)C(C)C)n2ncnc2n1.
What is the InChIKey of N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UMVIRNOEGACLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-8(2)16(5-4-12)10-6-9(3)15-11-13-7-14-17(10)11/h6-8H,4-5H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 253.74 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 63392205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).