1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine

C12H14ClN3O — CID 122458232

IUPAC1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine
SMILESCNCC1OCCn2nc3ccc(Cl)cc3c21
InChIInChI=1S/C12H14ClN3O/c1-14-7-11-12-9-6-8(13)2-3-10(9)15-16(12)4-5-17-11/h2-3,6,11,14H,4-5,7H2,1H3
InChIKeyBCABNEKXMQCIKL-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.98
Rot. Bonds2

About 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine

1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine (PubChem CID 122458232) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine
PubChem CID122458232
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine
SMILESCNCC1OCCn2nc3ccc(Cl)cc3c21
InChIInChI=1S/C12H14ClN3O/c1-14-7-11-12-9-6-8(13)2-3-10(9)15-16(12)4-5-17-11/h2-3,6,11,14H,4-5,7H2,1H3
InChIKeyBCABNEKXMQCIKL-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine (CID 122458232) is 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine is CNCC1OCCn2nc3ccc(Cl)cc3c21.
What is the InChIKey of 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine?
The InChIKey is BCABNEKXMQCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-14-7-11-12-9-6-8(13)2-3-10(9)15-16(12)4-5-17-11/h2-3,6,11,14H,4-5,7H2,1H3.
What are the key properties of 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine?
1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine has a molecular weight of 251.72 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-chloro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)-N-methylmethanamine is sourced from PubChem (CID 122458232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).