4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine

C7H17N7 — CID 174741943

IUPAC4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine
SMILESNCCC1=NC(N)N(N)C(CCN)=N1
InChIInChI=1S/C7H17N7/c8-3-1-5-12-6(2-4-9)14(11)7(10)13-5/h7H,1-4,8-11H2
InChIKeyDPLBCTLVZJZXRM-UHFFFAOYSA-N
MW199.26 g/mol
LogP-2.09
Rot. Bonds4

About 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine

4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine (PubChem CID 174741943) has the molecular formula C7H17N7 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine.

Molecular Properties

Compound Name4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine
PubChem CID174741943
Molecular FormulaC7H17N7
Molecular Weight199.26 g/mol
Exact Mass199.15
IUPAC Name4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine
SMILESNCCC1=NC(N)N(N)C(CCN)=N1
InChIInChI=1S/C7H17N7/c8-3-1-5-12-6(2-4-9)14(11)7(10)13-5/h7H,1-4,8-11H2
InChIKeyDPLBCTLVZJZXRM-UHFFFAOYSA-N
XLogP-2.09
TPSA132.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine?
The IUPAC name of 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine (CID 174741943) is 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine.
What is the SMILES notation for 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine?
The canonical SMILES for 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine is NCCC1=NC(N)N(N)C(CCN)=N1.
What is the InChIKey of 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine?
The InChIKey is DPLBCTLVZJZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N7/c8-3-1-5-12-6(2-4-9)14(11)7(10)13-5/h7H,1-4,8-11H2.
What are the key properties of 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine?
4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine has a molecular weight of 199.26 g/mol, XLogP of -2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine is sourced from PubChem (CID 174741943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).