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

C14H24N4O — CID 102677351

IUPACN-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCC2CC2)nc1CC
InChIInChI=1S/C14H24N4O/c1-3-12-13(4-2)17-18-14(16-12)15-8-5-9-19-10-11-6-7-11/h11H,3-10H2,1-2H3,(H,15,16,18)
InChIKeyZGTUDAXLFWDWGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds9

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

N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 102677351) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID102677351
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCC2CC2)nc1CC
InChIInChI=1S/C14H24N4O/c1-3-12-13(4-2)17-18-14(16-12)15-8-5-9-19-10-11-6-7-11/h11H,3-10H2,1-2H3,(H,15,16,18)
InChIKeyZGTUDAXLFWDWGW-UHFFFAOYSA-N
XLogP2.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
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-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 102677351) is N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCCCOCC2CC2)nc1CC.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is ZGTUDAXLFWDWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-13(4-2)17-18-14(16-12)15-8-5-9-19-10-11-6-7-11/h11H,3-10H2,1-2H3,(H,15,16,18).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 102677351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).