1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine

C11H18N4 — CID 11820311

IUPAC1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCCCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C11H18N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyZYLDIOUZTVCBBN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 11820311) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID11820311
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESCCCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C11H18N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyZYLDIOUZTVCBBN-UHFFFAOYSA-N
XLogP1.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10057861
CID 10057861
CID 10442260
CID 10442260
CID 10012808
CID 10012808
CID 10375002
CID 10375002
CID 11629696
CID 11629696
CID 10058412
CID 10058412
CID 10058674
CID 10058674
CID 10104311
CID 10104311
CID 10241624
CID 10241624
CID 10262914
CID 10262914
CID 10375325
CID 10375325
CID 10420105
CID 10420105

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine (CID 11820311) is 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine is CCCn1ncc(C2=CCCN(C)C2)n1.
What is the InChIKey of 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is ZYLDIOUZTVCBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h5,8H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-propyltriazol-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11820311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).