[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate

C9H10N6O2 — CID 175412702

IUPAC[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc(N)cn2)c1OC(N)=O
InChIInChI=1S/C9H10N6O2/c1-15-8(17-9(11)16)7(13-14-15)6-3-2-5(10)4-12-6/h2-4H,10H2,1H3,(H2,11,16)
InChIKeyMJZAYCZIARNMBX-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.08
Rot. Bonds2

About [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate

[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate (PubChem CID 175412702) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate
PubChem CID175412702
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc(N)cn2)c1OC(N)=O
InChIInChI=1S/C9H10N6O2/c1-15-8(17-9(11)16)7(13-14-15)6-3-2-5(10)4-12-6/h2-4H,10H2,1H3,(H2,11,16)
InChIKeyMJZAYCZIARNMBX-UHFFFAOYSA-N
XLogP-0.08
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate?
The IUPAC name of [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate (CID 175412702) is [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate.
What is the SMILES notation for [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate?
The canonical SMILES for [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate is Cn1nnc(-c2ccc(N)cn2)c1OC(N)=O.
What is the InChIKey of [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate?
The InChIKey is MJZAYCZIARNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-15-8(17-9(11)16)7(13-14-15)6-3-2-5(10)4-12-6/h2-4H,10H2,1H3,(H2,11,16).
What are the key properties of [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate?
[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate has a molecular weight of 234.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate is sourced from PubChem (CID 175412702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).