4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine

C10H13N5O — CID 106394129

IUPAC4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccnc(NCCc2ncon2)c1N
InChIInChI=1S/C10H13N5O/c1-7-2-4-12-10(9(7)11)13-5-3-8-14-6-16-15-8/h2,4,6H,3,5,11H2,1H3,(H,12,13)
InChIKeyBIYUZZVJNVYSGP-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.01
Rot. Bonds4

About 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine

4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine (PubChem CID 106394129) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
PubChem CID106394129
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccnc(NCCc2ncon2)c1N
InChIInChI=1S/C10H13N5O/c1-7-2-4-12-10(9(7)11)13-5-3-8-14-6-16-15-8/h2,4,6H,3,5,11H2,1H3,(H,12,13)
InChIKeyBIYUZZVJNVYSGP-UHFFFAOYSA-N
XLogP1.01
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 106413115
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
6-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbothioamide
CID 106399820
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
3-methylsulfonyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394075
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
CID 106215731
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine (CID 106394129) is 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine is Cc1ccnc(NCCc2ncon2)c1N.
What is the InChIKey of 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is BIYUZZVJNVYSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-2-4-12-10(9(7)11)13-5-3-8-14-6-16-15-8/h2,4,6H,3,5,11H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine?
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 219.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 106394129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).