4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine

C18H18N8 — CID 18700837

IUPAC4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCCCn1ncnc1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H18N8/c1-2-9-26-17(20-12-21-26)10-13-3-5-14(6-4-13)15-7-8-19-11-16(15)18-22-24-25-23-18/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,24,25)
InChIKeyAGIMEAIWLINFPT-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.52
Rot. Bonds6

About 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine

4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 18700837) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
PubChem CID18700837
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCCCn1ncnc1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H18N8/c1-2-9-26-17(20-12-21-26)10-13-3-5-14(6-4-13)15-7-8-19-11-16(15)18-22-24-25-23-18/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,24,25)
InChIKeyAGIMEAIWLINFPT-UHFFFAOYSA-N
XLogP2.52
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(5-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 18701348
1-[1-pentyl-5-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1,2,4-triazol-3-yl]pentan-1-one
CID 18700905
3-[4-[(2,5-dipentyl-1,2,4-triazol-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)pyridine
CID 18701260
5-[2-[4-[(5-propoxy-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750479
4-[4-[[3-(2-methylpropyl)-5-propyl-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 19976414
1-methyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384303
1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carbothialdehyde
CID 19750419
4-[4-[[3-(1,1-dimethoxypropyl)-5-propyl-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 19976162
4-pentyl-1-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384550
4-[4-[(3-butan-2-yl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 19976342
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
CID 57021325

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine (CID 18700837) is 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine is CCCn1ncnc1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is AGIMEAIWLINFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-2-9-26-17(20-12-21-26)10-13-3-5-14(6-4-13)15-7-8-19-11-16(15)18-22-24-25-23-18/h3-8,11-12H,2,9-10H2,1H3,(H,22,23,24,25).
What are the key properties of 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 346.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 18700837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).