N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide

C7H14N6O — CID 107042317

IUPACN-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
SMILESCNC(=O)CCNCc1nnn(C)n1
InChIInChI=1S/C7H14N6O/c1-8-7(14)3-4-9-5-6-10-12-13(2)11-6/h9H,3-5H2,1-2H3,(H,8,14)
InChIKeyZGSPULHQDXXEPE-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.56
Rot. Bonds5

About N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide

N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide (PubChem CID 107042317) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
PubChem CID107042317
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC NameN-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
SMILESCNC(=O)CCNCc1nnn(C)n1
InChIInChI=1S/C7H14N6O/c1-8-7(14)3-4-9-5-6-10-12-13(2)11-6/h9H,3-5H2,1-2H3,(H,8,14)
InChIKeyZGSPULHQDXXEPE-UHFFFAOYSA-N
XLogP-1.56
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042666
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
CID 107042177
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107042685
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 107042657
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide
CID 59768448

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The IUPAC name of N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide (CID 107042317) is N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide.
What is the SMILES notation for N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The canonical SMILES for N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide is CNC(=O)CCNCc1nnn(C)n1.
What is the InChIKey of N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The InChIKey is ZGSPULHQDXXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-8-7(14)3-4-9-5-6-10-12-13(2)11-6/h9H,3-5H2,1-2H3,(H,8,14).
What are the key properties of N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide has a molecular weight of 198.23 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide is sourced from PubChem (CID 107042317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).