N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide

C7H13N5O — CID 110871029

IUPACN-[2-(1-methyltetrazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nnnn1C
InChIInChI=1S/C7H13N5O/c1-3-7(13)8-5-4-6-9-10-11-12(6)2/h3-5H2,1-2H3,(H,8,13)
InChIKeyRSAHOUSGRPSVEC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.72
Rot. Bonds4

About N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide

N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide (PubChem CID 110871029) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)ethyl]propanamide
PubChem CID110871029
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN-[2-(1-methyltetrazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nnnn1C
InChIInChI=1S/C7H13N5O/c1-3-7(13)8-5-4-6-9-10-11-12(6)2/h3-5H2,1-2H3,(H,8,13)
InChIKeyRSAHOUSGRPSVEC-UHFFFAOYSA-N
XLogP-0.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110496861
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
CID 67159691
5-(2-chloroethyl)-1-methyltetrazole
CID 12595134
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
CID 110870993
copper;bis(1-methyl-5-[2-(1-methyltetrazol-5-yl)ethyl]tetrazole);diperchlorate;dihydrate
CID 139142359
2-(1-propan-2-yltetrazol-5-yl)ethylcarbamic acid
CID 68755649
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
CID 167874704
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320204
N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500574

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide (CID 110871029) is N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide is CCC(=O)NCCc1nnnn1C.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide?
The InChIKey is RSAHOUSGRPSVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-7(13)8-5-4-6-9-10-11-12(6)2/h3-5H2,1-2H3,(H,8,13).
What are the key properties of N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide?
N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110871029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).