N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine

C12H17N5 — CID 53009741

IUPACN-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nnnn1-c1cccc(C)c1
InChIInChI=1S/C12H17N5/c1-9-6-5-7-10(8-9)17-11(14-15-16-17)12(2,3)13-4/h5-8,13H,1-4H3
InChIKeyHTDBGBQMENTMSI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds3

About N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine

N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine (PubChem CID 53009741) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine
PubChem CID53009741
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nnnn1-c1cccc(C)c1
InChIInChI=1S/C12H17N5/c1-9-6-5-7-10(8-9)17-11(14-15-16-17)12(2,3)13-4/h5-8,13H,1-4H3
InChIKeyHTDBGBQMENTMSI-UHFFFAOYSA-N
XLogP1.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009733
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
CID 829550
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
iridium;1-(3-methylphenyl)-5-phenyltetrazole
CID 59661501
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
CID 122207425
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376405
4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]morpholine
CID 100818649

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine (CID 53009741) is N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine is CNC(C)(C)c1nnnn1-c1cccc(C)c1.
What is the InChIKey of N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine?
The InChIKey is HTDBGBQMENTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-6-5-7-10(8-9)17-11(14-15-16-17)12(2,3)13-4/h5-8,13H,1-4H3.
What are the key properties of N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine?
N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine is sourced from PubChem (CID 53009741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).