N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine

C8H15N5O — CID 130679815

IUPACN-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine
SMILESCO[C@H]1CCC[C@@H]1Nc1nnnn1C
InChIInChI=1S/C8H15N5O/c1-13-8(10-11-12-13)9-6-4-3-5-7(6)14-2/h6-7H,3-5H2,1-2H3,(H,9,10,12)/t6-,7-/m0/s1
InChIKeyNQHSAFXNXMVOCC-BQBZGAKWSA-N
MW197.24 g/mol
LogP0.19
Rot. Bonds3

About N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine

N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine (PubChem CID 130679815) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine
PubChem CID130679815
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine
SMILESCO[C@H]1CCC[C@@H]1Nc1nnnn1C
InChIInChI=1S/C8H15N5O/c1-13-8(10-11-12-13)9-6-4-3-5-7(6)14-2/h6-7H,3-5H2,1-2H3,(H,9,10,12)/t6-,7-/m0/s1
InChIKeyNQHSAFXNXMVOCC-BQBZGAKWSA-N
XLogP0.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine (CID 130679815) is N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine is CO[C@H]1CCC[C@@H]1Nc1nnnn1C.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine?
The InChIKey is NQHSAFXNXMVOCC-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-8(10-11-12-13)9-6-4-3-5-7(6)14-2/h6-7H,3-5H2,1-2H3,(H,9,10,12)/t6-,7-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine?
N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine has a molecular weight of 197.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 130679815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).