3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine

C12H23N5 — CID 112958192

IUPAC3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1nncc(N(CC)CC)n1
InChIInChI=1S/C12H23N5/c1-5-8-9-16(4)12-14-11(10-13-15-12)17(6-2)7-3/h10H,5-9H2,1-4H3
InChIKeyLCOZZQWDTUZQFP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds7

About 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine

3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 112958192) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID112958192
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1nncc(N(CC)CC)n1
InChIInChI=1S/C12H23N5/c1-5-8-9-16(4)12-14-11(10-13-15-12)17(6-2)7-3/h10H,5-9H2,1-4H3
InChIKeyLCOZZQWDTUZQFP-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine (CID 112958192) is 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine is CCCCN(C)c1nncc(N(CC)CC)n1.
What is the InChIKey of 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is LCOZZQWDTUZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-8-9-16(4)12-14-11(10-13-15-12)17(6-2)7-3/h10H,5-9H2,1-4H3.
What are the key properties of 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine?
3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N,5-N-diethyl-3-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).