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

C12H21N5 — CID 103353899

IUPACN-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC2(N)CCC2)nc1CC
InChIInChI=1S/C12H21N5/c1-3-9-10(4-2)16-17-11(15-9)14-8-12(13)6-5-7-12/h3-8,13H2,1-2H3,(H,14,15,17)
InChIKeyNXTMQSNOCFHCIM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.29
Rot. Bonds5

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

N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 103353899) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID103353899
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC2(N)CCC2)nc1CC
InChIInChI=1S/C12H21N5/c1-3-9-10(4-2)16-17-11(15-9)14-8-12(13)6-5-7-12/h3-8,13H2,1-2H3,(H,14,15,17)
InChIKeyNXTMQSNOCFHCIM-UHFFFAOYSA-N
XLogP1.29
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 103353899) is N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCC2(N)CCC2)nc1CC.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is NXTMQSNOCFHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-9-10(4-2)16-17-11(15-9)14-8-12(13)6-5-7-12/h3-8,13H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 103353899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).