3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol

C10H12N4O — CID 103205062

IUPAC3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol
SMILESNCC(CO)c1nnc2ccccc2n1
InChIInChI=1S/C10H12N4O/c11-5-7(6-15)10-12-8-3-1-2-4-9(8)13-14-10/h1-4,7,15H,5-6,11H2
InChIKeyFLZSCDMUPNSKPR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.06
Rot. Bonds3

About 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol

3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol (PubChem CID 103205062) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol
PubChem CID103205062
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol
SMILESNCC(CO)c1nnc2ccccc2n1
InChIInChI=1S/C10H12N4O/c11-5-7(6-15)10-12-8-3-1-2-4-9(8)13-14-10/h1-4,7,15H,5-6,11H2
InChIKeyFLZSCDMUPNSKPR-UHFFFAOYSA-N
XLogP0.06
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4-benzotriazin-3-yl)-3-hydroxypropanenitrile
CID 103205059
4-amino-3-quinolin-2-ylbutan-1-ol
CID 66089092
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939
3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol
CID 66356179
3-amino-2-pyridazin-3-ylpropan-1-ol
CID 63216101
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
3-N-(1,2,4-benzotriazin-3-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357864
3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
N-(1,2,4-benzotriazin-3-yl)-2-ethylbutane-1,4-diamine
CID 103205220
N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 103205202
3-[1,2,2-tris(1,2,4-benzotriazin-3-yl)ethenyl]-1,2,4-benzotriazine
CID 25068014
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol (CID 103205062) is 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol is NCC(CO)c1nnc2ccccc2n1.
What is the InChIKey of 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol?
The InChIKey is FLZSCDMUPNSKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-5-7(6-15)10-12-8-3-1-2-4-9(8)13-14-10/h1-4,7,15H,5-6,11H2.
What are the key properties of 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol?
3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol has a molecular weight of 204.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol is sourced from PubChem (CID 103205062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).