(1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone

C6H9N5O — CID 127004708

IUPAC(1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(N)CC2)n1
InChIInChI=1S/C6H9N5O/c1-11-9-5(8-10-11)4(12)6(7)2-3-6/h2-3,7H2,1H3
InChIKeyFVGPOHLTXKQCPH-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.12
Rot. Bonds2

About (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone

(1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 127004708) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone
PubChem CID127004708
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name(1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2(N)CC2)n1
InChIInChI=1S/C6H9N5O/c1-11-9-5(8-10-11)4(12)6(7)2-3-6/h2-3,7H2,1H3
InChIKeyFVGPOHLTXKQCPH-UHFFFAOYSA-N
XLogP-1.12
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-1-(2-methyltetrazol-5-yl)butan-1-one
CID 10352341
3-Amino-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061888
1-(1-Aminocyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062104
4-Amino-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107062152
3-Amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107062256
2-Amino-1-(2-methyltetrazol-5-yl)butan-1-one
CID 130758274
(1-Aminocyclobutyl)-(2-methyltetrazol-5-yl)methanone
CID 130758275
2-Amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
CID 130855541
2-(1-Aminocyclopropyl)-1-(2-methyltetrazol-5-yl)ethanone
CID 130913766
Cyclopropyl-(2-methyltetrazol-5-yl)methanone
CID 130992606

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone (CID 127004708) is (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2(N)CC2)n1.
What is the InChIKey of (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is FVGPOHLTXKQCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-11-9-5(8-10-11)4(12)6(7)2-3-6/h2-3,7H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone?
(1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 167.17 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 127004708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).