N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide

C9H18N6O — CID 63152371

IUPACN-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nnnn1C
InChIInChI=1S/C9H18N6O/c1-4-7(2)11-8(16)5-6-10-9-12-13-14-15(9)3/h7H,4-6H2,1-3H3,(H,11,16)(H,10,12,14)
InChIKeyIXFWABDZARNVOG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.07
Rot. Bonds6

About N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide

N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide (PubChem CID 63152371) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide
PubChem CID63152371
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC NameN-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nnnn1C
InChIInChI=1S/C9H18N6O/c1-4-7(2)11-8(16)5-6-10-9-12-13-14-15(9)3/h7H,4-6H2,1-3H3,(H,11,16)(H,10,12,14)
InChIKeyIXFWABDZARNVOG-UHFFFAOYSA-N
XLogP-0.07
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide (CID 63152371) is N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide is CCC(C)NC(=O)CCNc1nnnn1C.
What is the InChIKey of N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide?
The InChIKey is IXFWABDZARNVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-4-7(2)11-8(16)5-6-10-9-12-13-14-15(9)3/h7H,4-6H2,1-3H3,(H,11,16)(H,10,12,14).
What are the key properties of N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide?
N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(1-methyltetrazol-5-yl)amino]propanamide is sourced from PubChem (CID 63152371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).