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

C14H19N5 — CID 105363520

IUPACN-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(Nc2ccc(CN)cc2)nc1CC
InChIInChI=1S/C14H19N5/c1-3-12-13(4-2)18-19-14(17-12)16-11-7-5-10(9-15)6-8-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,17,19)
InChIKeyDDOZGHHUIAZWRO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.20
Rot. Bonds5

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

N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105363520) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105363520
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(Nc2ccc(CN)cc2)nc1CC
InChIInChI=1S/C14H19N5/c1-3-12-13(4-2)18-19-14(17-12)16-11-7-5-10(9-15)6-8-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,17,19)
InChIKeyDDOZGHHUIAZWRO-UHFFFAOYSA-N
XLogP2.20
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
CID 114386789
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362226
N-[3-(3-chloropropyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363453
2-bromo-5-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]benzoic acid
CID 105362170
4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
CID 105362499
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456
5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106965102
N-[(3-bromophenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362509
(2,3-diethylquinoxalin-6-yl)methanamine
CID 82509122
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
N-[2-(1-chloroethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363406
4-(bromomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)benzamide
CID 102852157

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 105363520) is N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(Nc2ccc(CN)cc2)nc1CC.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is DDOZGHHUIAZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-12-13(4-2)18-19-14(17-12)16-11-7-5-10(9-15)6-8-11/h5-8H,3-4,9,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105363520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).