N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline

C10H13N5 — CID 43732922

IUPACN-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCCNc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C10H13N5/c1-3-11-9-4-5-10(8(2)6-9)15-7-12-13-14-15/h4-7,11H,3H2,1-2H3
InChIKeyDVSXTVWRFUSRMR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.40
Rot. Bonds3

About N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline

N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline (PubChem CID 43732922) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
PubChem CID43732922
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCCNc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C10H13N5/c1-3-11-9-4-5-10(8(2)6-9)15-7-12-13-14-15/h4-7,11H,3H2,1-2H3
InChIKeyDVSXTVWRFUSRMR-UHFFFAOYSA-N
XLogP1.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 32974148
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62743208
3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
CID 43732899
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline (CID 43732922) is N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline is CCNc1ccc(-n2cnnn2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline?
The InChIKey is DVSXTVWRFUSRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-3-11-9-4-5-10(8(2)6-9)15-7-12-13-14-15/h4-7,11H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline?
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline has a molecular weight of 203.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43732922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).