4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide

C16H31N7O — CID 135490745

IUPAC4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCCCN(CCC)c1nc(/C(N)=N\O)nc(N(CCC)CCC)n1
InChIInChI=1S/C16H31N7O/c1-5-9-22(10-6-2)15-18-14(13(17)21-24)19-16(20-15)23(11-7-3)12-8-4/h24H,5-12H2,1-4H3,(H2,17,21)
InChIKeyNLLFQTUQSCTKOJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.22
Rot. Bonds11

About 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide

4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (PubChem CID 135490745) has the molecular formula C16H31N7O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
PubChem CID135490745
Molecular FormulaC16H31N7O
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
SMILESCCCN(CCC)c1nc(/C(N)=N\O)nc(N(CCC)CCC)n1
InChIInChI=1S/C16H31N7O/c1-5-9-22(10-6-2)15-18-14(13(17)21-24)19-16(20-15)23(11-7-3)12-8-4/h24H,5-12H2,1-4H3,(H2,17,21)
InChIKeyNLLFQTUQSCTKOJ-UHFFFAOYSA-N
XLogP2.22
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
N'-(4,6-dimethylpyrimidin-2-yl)-N'-propylethane-1,2-diamine
CID 63766271
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085
4-ethoxy-N'-hydroxy-6-(N-phenylanilino)-1,3,5-triazine-2-carboximidamide
CID 135517606
6-[ethyl(propyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43268817
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916100
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893
5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide
CID 135489940

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide (CID 135490745) is 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is CCCN(CCC)c1nc(/C(N)=N\O)nc(N(CCC)CCC)n1.
What is the InChIKey of 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
The InChIKey is NLLFQTUQSCTKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O/c1-5-9-22(10-6-2)15-18-14(13(17)21-24)19-16(20-15)23(11-7-3)12-8-4/h24H,5-12H2,1-4H3,(H2,17,21).
What are the key properties of 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide?
4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide has a molecular weight of 337.47 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 135490745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).