(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane

C17H24N6 — CID 72904522

IUPAC(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
SMILESCCCN1C[C@H]2CC[C@@H]1CN(c1nnnn1-c1ccccc1)C2
InChIInChI=1S/C17H24N6/c1-2-10-21-11-14-8-9-16(21)13-22(12-14)17-18-19-20-23(17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t14-,16-/m1/s1
InChIKeyMTJPYKMMYQBGQM-GDBMZVCRSA-N
MW312.42 g/mol
LogP1.97
Rot. Bonds4

About (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane

(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 72904522) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
PubChem CID72904522
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
SMILESCCCN1C[C@H]2CC[C@@H]1CN(c1nnnn1-c1ccccc1)C2
InChIInChI=1S/C17H24N6/c1-2-10-21-11-14-8-9-16(21)13-22(12-14)17-18-19-20-23(17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t14-,16-/m1/s1
InChIKeyMTJPYKMMYQBGQM-GDBMZVCRSA-N
XLogP1.97
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 133458550
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
(3S,4R)-N,N-dimethyl-4-methylsulfanyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-amine
CID 125136385
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 70764502
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
(1R,4R)-2-(1-phenyltetrazol-5-yl)-2,5-diazabicyclo[2.2.2]octane
CID 59511206
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane (CID 72904522) is (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane is CCCN1C[C@H]2CC[C@@H]1CN(c1nnnn1-c1ccccc1)C2.
What is the InChIKey of (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is MTJPYKMMYQBGQM-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-10-21-11-14-8-9-16(21)13-22(12-14)17-18-19-20-23(17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane?
(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 312.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 72904522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).