2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine

C10H13N5 — CID 70704181

IUPAC2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine
SMILESCc1nccc(C(C)C)c1-c1nn[nH]n1
InChIInChI=1S/C10H13N5/c1-6(2)8-4-5-11-7(3)9(8)10-12-14-15-13-10/h4-6H,1-3H3,(H,12,13,14,15)
InChIKeyJUCJEEWYSOFTQK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine

2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 70704181) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine
PubChem CID70704181
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine
SMILESCc1nccc(C(C)C)c1-c1nn[nH]n1
InChIInChI=1S/C10H13N5/c1-6(2)8-4-5-11-7(3)9(8)10-12-14-15-13-10/h4-6H,1-3H3,(H,12,13,14,15)
InChIKeyJUCJEEWYSOFTQK-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-Tetrazol-5-yl)pyridine
CID 320267
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
3-(2H-tetrazol-5-yl)pyridine
CID 151091
1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline
CID 318839
5-(4-Pyridyl)-1H-Tetrazole
CID 482249
Sdccggsk-0000053.P001
CID 44418481
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
2-cyclopentyl-6-methyl-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 73295099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine (CID 70704181) is 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine is Cc1nccc(C(C)C)c1-c1nn[nH]n1.
What is the InChIKey of 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is JUCJEEWYSOFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6(2)8-4-5-11-7(3)9(8)10-12-14-15-13-10/h4-6H,1-3H3,(H,12,13,14,15).
What are the key properties of 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine?
2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 203.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 70704181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).