molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole

C10H14N4 — CID 142506375

IUPACmolecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)c1ccc(-c2nn[nH]n2)cc1.[H][H]
InChIInChI=1S/C10H12N4.H2/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;/h3-7H,1-2H3,(H,11,12,13,14);1H
InChIKeyQYFSKNNAIIQFIY-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.24
Rot. Bonds2

About molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole

molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole (PubChem CID 142506375) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole.

Molecular Properties

Compound Namemolecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
PubChem CID142506375
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Namemolecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)c1ccc(-c2nn[nH]n2)cc1.[H][H]
InChIInChI=1S/C10H12N4.H2/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;/h3-7H,1-2H3,(H,11,12,13,14);1H
InChIKeyQYFSKNNAIIQFIY-UHFFFAOYSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
5-(4-ethylsulfanylphenyl)-2H-tetrazole
CID 82650245
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
CID 175020702
CID 175020702
2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 170824705
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
3,4-dihydroxy-4-[4-(2H-tetrazol-5-yl)phenyl]butanenitrile
CID 171901714
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
methyl 6-[[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]carbamoyl]pyrimidine-4-carboxylate
CID 58916770
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
The IUPAC name of molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole (CID 142506375) is molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole.
What is the SMILES notation for molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
The canonical SMILES for molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole is CC(C)c1ccc(-c2nn[nH]n2)cc1.[H][H].
What is the InChIKey of molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
The InChIKey is QYFSKNNAIIQFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.H2/c1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;/h3-7H,1-2H3,(H,11,12,13,14);1H.
What are the key properties of molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole?
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole has a molecular weight of 190.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole is sourced from PubChem (CID 142506375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).