hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine

C9H12N4O — CID 116947497

IUPAChydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
SMILESCc1nc2cc(C(N)NN)ccc2o1
InChIInChI=1S/C9H12N4O/c1-5-12-7-4-6(9(10)13-11)2-3-8(7)14-5/h2-4,9,13H,10-11H2,1H3
InChIKeySPURLDUHGIZXEI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.56
Rot. Bonds2

About hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine

hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine (PubChem CID 116947497) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine.

Molecular Properties

Compound Namehydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
PubChem CID116947497
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Namehydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
SMILESCc1nc2cc(C(N)NN)ccc2o1
InChIInChI=1S/C9H12N4O/c1-5-12-7-4-6(9(10)13-11)2-3-8(7)14-5/h2-4,9,13H,10-11H2,1H3
InChIKeySPURLDUHGIZXEI-UHFFFAOYSA-N
XLogP0.56
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.56
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

amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
CID 116836117
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 116954230
N'-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945914
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934071
3-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934225

Frequently Asked Questions

What is the IUPAC name of hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine?
The IUPAC name of hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine (CID 116947497) is hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine.
What is the SMILES notation for hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine?
The canonical SMILES for hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine is Cc1nc2cc(C(N)NN)ccc2o1.
What is the InChIKey of hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine?
The InChIKey is SPURLDUHGIZXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-12-7-4-6(9(10)13-11)2-3-8(7)14-5/h2-4,9,13H,10-11H2,1H3.
What are the key properties of hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine?
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine is sourced from PubChem (CID 116947497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).