7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine

C19H15N5 — CID 135425726

IUPAC7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine
SMILESCc1ccc2c(c1)C(c1ccncc1)=NNC(c1cccnc1)=N2
InChIInChI=1S/C19H15N5/c1-13-4-5-17-16(11-13)18(14-6-9-20-10-7-14)23-24-19(22-17)15-3-2-8-21-12-15/h2-12H,1H3,(H,22,24)
InChIKeyGWKFYRACXBSRHQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.22
Rot. Bonds2

About 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine

7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine (PubChem CID 135425726) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine.

Molecular Properties

Compound Name7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine
PubChem CID135425726
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine
SMILESCc1ccc2c(c1)C(c1ccncc1)=NNC(c1cccnc1)=N2
InChIInChI=1S/C19H15N5/c1-13-4-5-17-16(11-13)18(14-6-9-20-10-7-14)23-24-19(22-17)15-3-2-8-21-12-15/h2-12H,1H3,(H,22,24)
InChIKeyGWKFYRACXBSRHQ-UHFFFAOYSA-N
XLogP3.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine?
The IUPAC name of 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine (CID 135425726) is 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine.
What is the SMILES notation for 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine?
The canonical SMILES for 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine is Cc1ccc2c(c1)C(c1ccncc1)=NNC(c1cccnc1)=N2.
What is the InChIKey of 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine?
The InChIKey is GWKFYRACXBSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-13-4-5-17-16(11-13)18(14-6-9-20-10-7-14)23-24-19(22-17)15-3-2-8-21-12-15/h2-12H,1H3,(H,22,24).
What are the key properties of 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine?
7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine has a molecular weight of 313.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-pyridin-3-yl-5-pyridin-4-yl-3H-1,3,4-benzotriazepine is sourced from PubChem (CID 135425726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).