N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C11H18N4O — CID 104924238

IUPACN-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCOCC2CC2)nc1C
InChIInChI=1S/C11H18N4O/c1-8-9(2)14-15-11(13-8)12-5-6-16-7-10-3-4-10/h10H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyJNDUWBRQBVZPIO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.33
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 104924238) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID104924238
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCOCC2CC2)nc1C
InChIInChI=1S/C11H18N4O/c1-8-9(2)14-15-11(13-8)12-5-6-16-7-10-3-4-10/h10H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyJNDUWBRQBVZPIO-UHFFFAOYSA-N
XLogP1.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 104924238) is N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCCOCC2CC2)nc1C.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is JNDUWBRQBVZPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(2)14-15-11(13-8)12-5-6-16-7-10-3-4-10/h10H,3-7H2,1-2H3,(H,12,13,15).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).