(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid

C14H18N4O2 — CID 87489677

IUPAC(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid
SMILESO=C(O)NCC1CCC(c2ncn3ccncc23)CC1
InChIInChI=1S/C14H18N4O2/c19-14(20)16-7-10-1-3-11(4-2-10)13-12-8-15-5-6-18(12)9-17-13/h5-6,8-11,16H,1-4,7H2,(H,19,20)
InChIKeyTVQASOVJVNYAAU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.27
Rot. Bonds3

About (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid

(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid (PubChem CID 87489677) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid
PubChem CID87489677
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid
SMILESO=C(O)NCC1CCC(c2ncn3ccncc23)CC1
InChIInChI=1S/C14H18N4O2/c19-14(20)16-7-10-1-3-11(4-2-10)13-12-8-15-5-6-18(12)9-17-13/h5-6,8-11,16H,1-4,7H2,(H,19,20)
InChIKeyTVQASOVJVNYAAU-UHFFFAOYSA-N
XLogP2.27
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid?
The IUPAC name of (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid (CID 87489677) is (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid.
What is the SMILES notation for (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid?
The canonical SMILES for (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid is O=C(O)NCC1CCC(c2ncn3ccncc23)CC1.
What is the InChIKey of (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid?
The InChIKey is TVQASOVJVNYAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14(20)16-7-10-1-3-11(4-2-10)13-12-8-15-5-6-18(12)9-17-13/h5-6,8-11,16H,1-4,7H2,(H,19,20).
What are the key properties of (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid?
(4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid has a molecular weight of 274.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,5-a]pyrazin-1-ylcyclohexyl)methylcarbamic acid is sourced from PubChem (CID 87489677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).