1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine

C12H15N5O — CID 118739128

IUPAC1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2Cn3nncc3CO2)ccn1
InChIInChI=1S/C12H15N5O/c1-3-13-4-2-10(1)5-14-7-12-8-17-11(9-18-12)6-15-16-17/h1-4,6,12,14H,5,7-9H2
InChIKeyNJWQATVYHHTYJW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.36
Rot. Bonds4

About 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine

1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 118739128) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID118739128
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2Cn3nncc3CO2)ccn1
InChIInChI=1S/C12H15N5O/c1-3-13-4-2-10(1)5-14-7-12-8-17-11(9-18-12)6-15-16-17/h1-4,6,12,14H,5,7-9H2
InChIKeyNJWQATVYHHTYJW-UHFFFAOYSA-N
XLogP0.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 118739128) is 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine is c1cc(CNCC2Cn3nncc3CO2)ccn1.
What is the InChIKey of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is NJWQATVYHHTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-13-4-2-10(1)5-14-7-12-8-17-11(9-18-12)6-15-16-17/h1-4,6,12,14H,5,7-9H2.
What are the key properties of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine?
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 245.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 118739128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).