2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide

C9H18N6O — CID 107042657

IUPAC2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1nnn(C)n1
InChIInChI=1S/C9H18N6O/c1-6(2)11-9(16)7(3)10-5-8-12-14-15(4)13-8/h6-7,10H,5H2,1-4H3,(H,11,16)
InChIKeyKLWRYXOADYWGAR-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.79
Rot. Bonds5

About 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide

2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 107042657) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
PubChem CID107042657
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1nnn(C)n1
InChIInChI=1S/C9H18N6O/c1-6(2)11-9(16)7(3)10-5-8-12-14-15(4)13-8/h6-7,10H,5H2,1-4H3,(H,11,16)
InChIKeyKLWRYXOADYWGAR-UHFFFAOYSA-N
XLogP-0.79
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042658
methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
CID 107042301
2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
CID 107044903
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
4-chloro-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
CID 107054190
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 113406905
N-[(2-methyltetrazol-5-yl)methyl]pent-4-yn-2-amine
CID 107042700
N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide (CID 107042657) is 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1nnn(C)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is KLWRYXOADYWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-6(2)11-9(16)7(3)10-5-8-12-14-15(4)13-8/h6-7,10H,5H2,1-4H3,(H,11,16).
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 226.28 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107042657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).