N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine

C10H15ClN4 — CID 114787767

IUPACN-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N(CCCl)C2CC2)nc1C
InChIInChI=1S/C10H15ClN4/c1-7-8(2)13-14-10(12-7)15(6-5-11)9-3-4-9/h9H,3-6H2,1-2H3
InChIKeyVJNARJZXVRFJIQ-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.70
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine

N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114787767) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114787767
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N(CCCl)C2CC2)nc1C
InChIInChI=1S/C10H15ClN4/c1-7-8(2)13-14-10(12-7)15(6-5-11)9-3-4-9/h9H,3-6H2,1-2H3
InChIKeyVJNARJZXVRFJIQ-UHFFFAOYSA-N
XLogP1.70
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
CID 114785909
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
N-(2-chloroethyl)-N-cyclopentyl-4-methylpyrimidin-2-amine
CID 63388934
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 107489951
N-(2-chloroethyl)-N-cyclobutyl-4-methylphthalazin-1-amine
CID 102871697
N-(2-chloroethyl)-N-cyclopentyl-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168874
N-(2-chloroethyl)-N-cyclohexyl-4-methylphthalazin-1-amine
CID 63388318
N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
CID 102871699
N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277332
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
CID 106505048
N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine
CID 114787149

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114787767) is N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(N(CCCl)C2CC2)nc1C.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is VJNARJZXVRFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-8(2)13-14-10(12-7)15(6-5-11)9-3-4-9/h9H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114787767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).