1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one

C8H15N5O — CID 107061820

IUPAC1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
SMILESCC(C)NCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-6(2)9-5-7(14)4-8-10-12-13(3)11-8/h6,9H,4-5H2,1-3H3
InChIKeyIWMDZPQKHJOKFY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.68
Rot. Bonds5

About 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one

1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one (PubChem CID 107061820) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
PubChem CID107061820
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
SMILESCC(C)NCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-6(2)9-5-7(14)4-8-10-12-13(3)11-8/h6,9H,4-5H2,1-3H3
InChIKeyIWMDZPQKHJOKFY-UHFFFAOYSA-N
XLogP-0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 107062235
2-(Methylamino)-1-(2-propan-2-yltetrazol-5-yl)ethanone
CID 84659057
2-(2-Methyltetrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 107061719
2-(2-Methyltetrazol-5-yl)-1-piperidin-2-ylethanone
CID 107061727
3-Amino-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061777
1-(Methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061804
1-(Cyclopropylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061823
5-(Methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061830
1-(Butan-2-ylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061836
1-(2-Methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-one
CID 107061840
1-(Cyclopropylmethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061852
4-(Tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061856

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one (CID 107061820) is 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one is CC(C)NCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one?
The InChIKey is IWMDZPQKHJOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(2)9-5-7(14)4-8-10-12-13(3)11-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one?
1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 107061820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).