6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine

C7H15N7 — CID 56633121

IUPAC6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNCCNCCc1nc(N)nc(N)n1
InChIInChI=1S/C7H15N7/c8-2-4-11-3-1-5-12-6(9)14-7(10)13-5/h11H,1-4,8H2,(H4,9,10,12,13,14)
InChIKeyVJMGBEUHQULMLR-UHFFFAOYSA-N
MW197.25 g/mol
LogP-1.87
Rot. Bonds5

About 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56633121) has the molecular formula C7H15N7 and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID56633121
Molecular FormulaC7H15N7
Molecular Weight197.25 g/mol
Exact Mass197.14
IUPAC Name6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNCCNCCc1nc(N)nc(N)n1
InChIInChI=1S/C7H15N7/c8-2-4-11-3-1-5-12-6(9)14-7(10)13-5/h11H,1-4,8H2,(H4,9,10,12,13,14)
InChIKeyVJMGBEUHQULMLR-UHFFFAOYSA-N
XLogP-1.87
TPSA128.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
6-(Aminomethyl)-1,3,5-triazine-2,4-diamine
CID 353088
6-methyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 33379
2-Ethyl-amino-4-isopropylamino-1,3,5-triazine
CID 22027372
4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 56988208
1-[4-(1-Aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 68969857
4-ethylamino-6-isopropyl amino S-triazine
CID 130532627
2,4-Difluoro-6-piperazin-2-yl-1,3,5-triazine
CID 54463874
2-N,4-N,6-triethyl-1,3,5-triazine-2,4-diamine
CID 33404
6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 130532843
2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 130532847

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine (CID 56633121) is 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine is NCCNCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VJMGBEUHQULMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N7/c8-2-4-11-3-1-5-12-6(9)14-7(10)13-5/h11H,1-4,8H2,(H4,9,10,12,13,14).
What are the key properties of 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 197.25 g/mol, XLogP of -1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56633121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).