N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine

C9H12N4O — CID 115260505

IUPACN-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCNN)cc2o1
InChIInChI=1S/C9H12N4O/c1-6-13-8-3-2-7(11-5-12-10)4-9(8)14-6/h2-4,11-12H,5,10H2,1H3
InChIKeyISKLKOSEKVMQMB-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.97
Rot. Bonds3

About N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine

N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine (PubChem CID 115260505) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
PubChem CID115260505
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCNN)cc2o1
InChIInChI=1S/C9H12N4O/c1-6-13-8-3-2-7(11-5-12-10)4-9(8)14-6/h2-4,11-12H,5,10H2,1H3
InChIKeyISKLKOSEKVMQMB-UHFFFAOYSA-N
XLogP0.97
TPSA76.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
CID 115120319
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248821
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine?
The IUPAC name of N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine (CID 115260505) is N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine is Cc1nc2ccc(NCNN)cc2o1.
What is the InChIKey of N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine?
The InChIKey is ISKLKOSEKVMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-13-8-3-2-7(11-5-12-10)4-9(8)14-6/h2-4,11-12H,5,10H2,1H3.
What are the key properties of N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine?
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine has a molecular weight of 192.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115260505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).