1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine

C14H18N6 — CID 47453668

IUPAC1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESc1ccc(-n2nnnc2N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C14H18N6/c1-2-4-13(5-3-1)20-14(15-16-17-20)19-10-8-18(9-11-19)12-6-7-12/h1-5,12H,6-11H2
InChIKeyBINVTFKQCWJVQV-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.95
Rot. Bonds3

About 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine

1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 47453668) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID47453668
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESc1ccc(-n2nnnc2N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C14H18N6/c1-2-4-13(5-3-1)20-14(15-16-17-20)19-10-8-18(9-11-19)12-6-7-12/h1-5,12H,6-11H2
InChIKeyBINVTFKQCWJVQV-UHFFFAOYSA-N
XLogP0.95
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-cyclopropyl-7-(1-phenyltetrazol-5-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 162632629
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine (CID 47453668) is 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine is c1ccc(-n2nnnc2N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is BINVTFKQCWJVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-2-4-13(5-3-1)20-14(15-16-17-20)19-10-8-18(9-11-19)12-6-7-12/h1-5,12H,6-11H2.
What are the key properties of 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine?
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 270.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 47453668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).