(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone

C16H22N6O — CID 75426017

IUPAC(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)c1ccc3nnnn3c1)CC2
InChIInChI=1S/C16H22N6O/c1-11(2)22-13-4-5-14(22)10-20(8-7-13)16(23)12-3-6-15-17-18-19-21(15)9-12/h3,6,9,11,13-14H,4-5,7-8,10H2,1-2H3
InChIKeyNVNZMXYGZNJRNL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.21
Rot. Bonds2

About (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone

(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 75426017) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID75426017
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)c1ccc3nnnn3c1)CC2
InChIInChI=1S/C16H22N6O/c1-11(2)22-13-4-5-14(22)10-20(8-7-13)16(23)12-3-6-15-17-18-19-21(15)9-12/h3,6,9,11,13-14H,4-5,7-8,10H2,1-2H3
InChIKeyNVNZMXYGZNJRNL-UHFFFAOYSA-N
XLogP1.21
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124841013
(2-tert-butylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005848
(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549628
[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375282
[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
[4-(2-methoxyphenoxy)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732957
[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95872332
[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70713709
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95715309
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95554467
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70711621

Frequently Asked Questions

What is the IUPAC name of (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone (CID 75426017) is (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone is CC(C)N1C2CCC1CN(C(=O)c1ccc3nnnn3c1)CC2.
What is the InChIKey of (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is NVNZMXYGZNJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11(2)22-13-4-5-14(22)10-20(8-7-13)16(23)12-3-6-15-17-18-19-21(15)9-12/h3,6,9,11,13-14H,4-5,7-8,10H2,1-2H3.
What are the key properties of (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 75426017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).