3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide

C12H15N5O — CID 103204116

IUPAC3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nnc2ccccc2n1
InChIInChI=1S/C12H15N5O/c1-17(2)11(18)7-8-13-12-14-9-5-3-4-6-10(9)15-16-12/h3-6H,7-8H2,1-2H3,(H,13,14,16)
InChIKeyUJUNPGDSVCDTJC-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.92
Rot. Bonds4

About 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide

3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide (PubChem CID 103204116) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide
PubChem CID103204116
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nnc2ccccc2n1
InChIInChI=1S/C12H15N5O/c1-17(2)11(18)7-8-13-12-14-9-5-3-4-6-10(9)15-16-12/h3-6H,7-8H2,1-2H3,(H,13,14,16)
InChIKeyUJUNPGDSVCDTJC-UHFFFAOYSA-N
XLogP0.92
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
CID 55025805
3-anilino-N,N-dimethylpropanamide
CID 60961994
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
N-(3-methylsulfinylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204512
N-(1,2,4-benzotriazin-3-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048642
N-(1,2,4-benzotriazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103204297
3-[(4-carbamothioylquinolin-2-yl)amino]-N,N-dimethylpropanamide
CID 63886113
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204068
N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]methanesulfonamide
CID 106337308
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide (CID 103204116) is 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nnc2ccccc2n1.
What is the InChIKey of 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide?
The InChIKey is UJUNPGDSVCDTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(2)11(18)7-8-13-12-14-9-5-3-4-6-10(9)15-16-12/h3-6H,7-8H2,1-2H3,(H,13,14,16).
What are the key properties of 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide?
3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide has a molecular weight of 245.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 103204116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).