(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide

C10H16N6O — CID 146109412

IUPAC(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
SMILESCn1nnnc1N1C[C@@H]2CCC[C@]2(C(N)=O)C1
InChIInChI=1S/C10H16N6O/c1-15-9(12-13-14-15)16-5-7-3-2-4-10(7,6-16)8(11)17/h7H,2-6H2,1H3,(H2,11,17)/t7-,10-/m0/s1
InChIKeyYUAAAOMBJPBQMX-XVKPBYJWSA-N
MW236.28 g/mol
LogP-0.70
Rot. Bonds2

About (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide

(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide (PubChem CID 146109412) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
PubChem CID146109412
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
SMILESCn1nnnc1N1C[C@@H]2CCC[C@]2(C(N)=O)C1
InChIInChI=1S/C10H16N6O/c1-15-9(12-13-14-15)16-5-7-3-2-4-10(7,6-16)8(11)17/h7H,2-6H2,1H3,(H2,11,17)/t7-,10-/m0/s1
InChIKeyYUAAAOMBJPBQMX-XVKPBYJWSA-N
XLogP-0.70
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide (CID 146109412) is (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide is Cn1nnnc1N1C[C@@H]2CCC[C@]2(C(N)=O)C1.
What is the InChIKey of (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide?
The InChIKey is YUAAAOMBJPBQMX-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15-9(12-13-14-15)16-5-7-3-2-4-10(7,6-16)8(11)17/h7H,2-6H2,1H3,(H2,11,17)/t7-,10-/m0/s1.
What are the key properties of (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide?
(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide is sourced from PubChem (CID 146109412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).