1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane

C14H18N6 — CID 91782484

IUPAC1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane
SMILESCc1cc(N2CCCN(c3ncncn3)CC2)ccn1
InChIInChI=1S/C14H18N6/c1-12-9-13(3-4-16-12)19-5-2-6-20(8-7-19)14-17-10-15-11-18-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyPZVYIFUSXQDNNH-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.29
Rot. Bonds2

About 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane

1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane (PubChem CID 91782484) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane
PubChem CID91782484
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane
SMILESCc1cc(N2CCCN(c3ncncn3)CC2)ccn1
InChIInChI=1S/C14H18N6/c1-12-9-13(3-4-16-12)19-5-2-6-20(8-7-19)14-17-10-15-11-18-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeyPZVYIFUSXQDNNH-UHFFFAOYSA-N
XLogP1.29
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane (CID 91782484) is 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane is Cc1cc(N2CCCN(c3ncncn3)CC2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane?
The InChIKey is PZVYIFUSXQDNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-12-9-13(3-4-16-12)19-5-2-6-20(8-7-19)14-17-10-15-11-18-14/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane?
1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane has a molecular weight of 270.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane is sourced from PubChem (CID 91782484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).