1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine

C18H27N5O — CID 133461869

IUPAC1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
SMILESCCC(CC)C1CC(Nc2nnnn2-c2ccc(C)cc2)CCO1
InChIInChI=1S/C18H27N5O/c1-4-14(5-2)17-12-15(10-11-24-17)19-18-20-21-22-23(18)16-8-6-13(3)7-9-16/h6-9,14-15,17H,4-5,10-12H2,1-3H3,(H,19,20,22)
InChIKeyQXNFMACJBZBVOO-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine

1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine (PubChem CID 133461869) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
PubChem CID133461869
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
SMILESCCC(CC)C1CC(Nc2nnnn2-c2ccc(C)cc2)CCO1
InChIInChI=1S/C18H27N5O/c1-4-14(5-2)17-12-15(10-11-24-17)19-18-20-21-22-23(18)16-8-6-13(3)7-9-16/h6-9,14-15,17H,4-5,10-12H2,1-3H3,(H,19,20,22)
InChIKeyQXNFMACJBZBVOO-UHFFFAOYSA-N
XLogP3.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
CID 47292449
6-[(2-pentan-3-yloxan-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273800
2-[ethyl-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]cyclobutyl]amino]acetic acid
CID 122061973
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133357170
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
(2R,3S,4S)-2-(hydroxymethyl)-4-[(1-phenyltetrazol-5-yl)amino]oxan-3-ol
CID 154817090
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine (CID 133461869) is 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine is CCC(CC)C1CC(Nc2nnnn2-c2ccc(C)cc2)CCO1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine?
The InChIKey is QXNFMACJBZBVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-14(5-2)17-12-15(10-11-24-17)19-18-20-21-22-23(18)16-8-6-13(3)7-9-16/h6-9,14-15,17H,4-5,10-12H2,1-3H3,(H,19,20,22).
What are the key properties of 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine?
1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine has a molecular weight of 329.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine is sourced from PubChem (CID 133461869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).