N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine

C12H22N6O — CID 141440399

IUPACN-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(NCCC)nc(NCCC)n1
InChIInChI=1S/C12H22N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18(19)9-6-3/h6,19H,3-5,7-9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKRKRFCUSJFDVKQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.90
Rot. Bonds9

About N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine

N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine (PubChem CID 141440399) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
PubChem CID141440399
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
SMILESC=CCN(O)c1nc(NCCC)nc(NCCC)n1
InChIInChI=1S/C12H22N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18(19)9-6-3/h6,19H,3-5,7-9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKRKRFCUSJFDVKQ-UHFFFAOYSA-N
XLogP1.90
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Oxonazine
CID 168891
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
2,4,6-Triallylamino-sym-triazine
CID 35080
N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 45029482
[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]prop-2-en-1-ylcyanamide
CID 778504
N~2~-allyl-6-methoxy-N~4~,N~4~-dipropyl-1,3,5-triazine-2,4-diamine
CID 4345880
Diallyl-(4-chloro-6-propylamino-s-triazin-2-yl)amine
CID 14317544
6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 14950931
N~2~-(Prop-2-en-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 15835051
2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 22052806

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The IUPAC name of N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine (CID 141440399) is N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine.
What is the SMILES notation for N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The canonical SMILES for N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine is C=CCN(O)c1nc(NCCC)nc(NCCC)n1.
What is the InChIKey of N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
The InChIKey is KRKRFCUSJFDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18(19)9-6-3/h6,19H,3-5,7-9H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine?
N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine has a molecular weight of 266.35 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine is sourced from PubChem (CID 141440399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).