6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine

C11H25N11 — CID 5246723

IUPAC6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine
SMILESNC1NC(N)NC(C2=CC=CC(C3NC(N)NC(N)N3)N2)N1
InChIInChI=1S/C11H25N11/c12-8-17-6(18-9(13)21-8)4-2-1-3-5(16-4)7-19-10(14)22-11(15)20-7/h1-4,6-11,16-22H,12-15H2
InChIKeyHQVOUPCKVUGTHA-UHFFFAOYSA-N
MW311.40 g/mol
LogP-5.42
Rot. Bonds2

About 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine

6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine (PubChem CID 5246723) has the molecular formula C11H25N11 and a molecular weight of 311.40 g/mol. Its IUPAC name is 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine.

Molecular Properties

Compound Name6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine
PubChem CID5246723
Molecular FormulaC11H25N11
Molecular Weight311.40 g/mol
Exact Mass311.23
IUPAC Name6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine
SMILESNC1NC(N)NC(C2=CC=CC(C3NC(N)NC(N)N3)N2)N1
InChIInChI=1S/C11H25N11/c12-8-17-6(18-9(13)21-8)4-2-1-3-5(16-4)7-19-10(14)22-11(15)20-7/h1-4,6-11,16-22H,12-15H2
InChIKeyHQVOUPCKVUGTHA-UHFFFAOYSA-N
XLogP-5.42
TPSA188.29 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500311.40
LogP ≤ 5-5.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine?
The IUPAC name of 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine (CID 5246723) is 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine.
What is the SMILES notation for 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine?
The canonical SMILES for 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine is NC1NC(N)NC(C2=CC=CC(C3NC(N)NC(N)N3)N2)N1.
What is the InChIKey of 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine?
The InChIKey is HQVOUPCKVUGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N11/c12-8-17-6(18-9(13)21-8)4-2-1-3-5(16-4)7-19-10(14)22-11(15)20-7/h1-4,6-11,16-22H,12-15H2.
What are the key properties of 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine?
6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine has a molecular weight of 311.40 g/mol, XLogP of -5.42, 2 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine is sourced from PubChem (CID 5246723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).