[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate

C9H8ClN5O3 — CID 175311867

IUPAC[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate
SMILESNC(=O)Oc1cnc(-n2ncc(CO)n2)c(Cl)c1
InChIInChI=1S/C9H8ClN5O3/c10-7-1-6(18-9(11)17)3-12-8(7)15-13-2-5(4-16)14-15/h1-3,16H,4H2,(H2,11,17)
InChIKeyZMCKYQWWEGSUEV-UHFFFAOYSA-N
MW269.65 g/mol
LogP0.27
Rot. Bonds3

About [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate

[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate (PubChem CID 175311867) has the molecular formula C9H8ClN5O3 and a molecular weight of 269.65 g/mol. Its IUPAC name is [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate
PubChem CID175311867
Molecular FormulaC9H8ClN5O3
Molecular Weight269.65 g/mol
Exact Mass269.03
IUPAC Name[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate
SMILESNC(=O)Oc1cnc(-n2ncc(CO)n2)c(Cl)c1
InChIInChI=1S/C9H8ClN5O3/c10-7-1-6(18-9(11)17)3-12-8(7)15-13-2-5(4-16)14-15/h1-3,16H,4H2,(H2,11,17)
InChIKeyZMCKYQWWEGSUEV-UHFFFAOYSA-N
XLogP0.27
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate?
The IUPAC name of [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate (CID 175311867) is [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate.
What is the SMILES notation for [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate?
The canonical SMILES for [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate is NC(=O)Oc1cnc(-n2ncc(CO)n2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate?
The InChIKey is ZMCKYQWWEGSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O3/c10-7-1-6(18-9(11)17)3-12-8(7)15-13-2-5(4-16)14-15/h1-3,16H,4H2,(H2,11,17).
What are the key properties of [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate?
[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate has a molecular weight of 269.65 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate is sourced from PubChem (CID 175311867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).