N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide

C8H15N5O — CID 13103367

IUPACN,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCc1nnnn1CCCC(=O)N(C)C
InChIInChI=1S/C8H15N5O/c1-7-9-10-11-13(7)6-4-5-8(14)12(2)3/h4-6H2,1-3H3
InChIKeyNANSUJHAAHTVQL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.15
Rot. Bonds4

About N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide

N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide (PubChem CID 13103367) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide
PubChem CID13103367
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCc1nnnn1CCCC(=O)N(C)C
InChIInChI=1S/C8H15N5O/c1-7-9-10-11-13(7)6-4-5-8(14)12(2)3/h4-6H2,1-3H3
InChIKeyNANSUJHAAHTVQL-UHFFFAOYSA-N
XLogP-0.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide?
The IUPAC name of N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide (CID 13103367) is N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide is Cc1nnnn1CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide?
The InChIKey is NANSUJHAAHTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-7-9-10-11-13(7)6-4-5-8(14)12(2)3/h4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide?
N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide has a molecular weight of 197.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide is sourced from PubChem (CID 13103367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).