1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole

C7H12N4 — CID 59618315

IUPAC1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole
SMILESCC(C)[C@@H]1C[C@H]1n1cnnn1
InChIInChI=1S/C7H12N4/c1-5(2)6-3-7(6)11-4-8-9-10-11/h4-7H,3H2,1-2H3/t6-,7+/m0/s1
InChIKeyPWJWFFAYKCXOAD-NKWVEPMBSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds2

About 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole

1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole (PubChem CID 59618315) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole.

Molecular Properties

Compound Name1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole
PubChem CID59618315
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole
SMILESCC(C)[C@@H]1C[C@H]1n1cnnn1
InChIInChI=1S/C7H12N4/c1-5(2)6-3-7(6)11-4-8-9-10-11/h4-7H,3H2,1-2H3/t6-,7+/m0/s1
InChIKeyPWJWFFAYKCXOAD-NKWVEPMBSA-N
XLogP0.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclopropylmethyl)tetrazole
CID 22106501
1-(3-Methylbutyl)tetrazole
CID 23273423
1-Pentan-2-yltetrazole
CID 54365782
1-(3-Methylpentyl)tetrazole
CID 57080297
1-(4-Methylhexyl)tetrazole
CID 57094970
1-(3-Methylhexyl)tetrazole
CID 57142943
1-(2-Cyclopropylethyl)tetrazole
CID 57145481
1-(4-Methylpentyl)tetrazole
CID 57218048
1-(Cyclobutylmethyl)tetrazole
CID 57311693
1-(3-Methylbutan-2-yl)tetrazole
CID 58125077
4-(2-Propan-2-ylcyclopropyl)-1,2,4-triazole
CID 58913351
1-(5-Methylhexyl)tetrazole
CID 59434657

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole?
The IUPAC name of 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole (CID 59618315) is 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole.
What is the SMILES notation for 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole?
The canonical SMILES for 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole is CC(C)[C@@H]1C[C@H]1n1cnnn1.
What is the InChIKey of 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole?
The InChIKey is PWJWFFAYKCXOAD-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(2)6-3-7(6)11-4-8-9-10-11/h4-7H,3H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole?
1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole has a molecular weight of 152.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-propan-2-ylcyclopropyl]tetrazole is sourced from PubChem (CID 59618315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).