1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine

C10H17N5 — CID 10081762

IUPAC1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)n1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C10H17N5/c1-8(2)15-12-10(11-13-15)9-5-4-6-14(3)7-9/h5,8H,4,6-7H2,1-3H3
InChIKeyHTWHYXDKMLYDLO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 10081762) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID10081762
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)n1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C10H17N5/c1-8(2)15-12-10(11-13-15)9-5-4-6-14(3)7-9/h5,8H,4,6-7H2,1-3H3
InChIKeyHTWHYXDKMLYDLO-UHFFFAOYSA-N
XLogP0.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 10081762) is 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine is CC(C)n1nnc(C2=CCCN(C)C2)n1.
What is the InChIKey of 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is HTWHYXDKMLYDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-8(2)15-12-10(11-13-15)9-5-4-6-14(3)7-9/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10081762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).