5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine

C7H13N5 — CID 130738641

IUPAC5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
SMILESNC[C@@H](N)c1cnc(N)c(N)c1
InChIInChI=1S/C7H13N5/c8-2-6(10)4-1-5(9)7(11)12-3-4/h1,3,6H,2,8-10H2,(H2,11,12)/t6-/m1/s1
InChIKeySHSNLKTVPZVEAX-ZCFIWIBFSA-N
MW167.22 g/mol
LogP-0.80
Rot. Bonds2

About 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine

5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine (PubChem CID 130738641) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
PubChem CID130738641
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
SMILESNC[C@@H](N)c1cnc(N)c(N)c1
InChIInChI=1S/C7H13N5/c8-2-6(10)4-1-5(9)7(11)12-3-4/h1,3,6H,2,8-10H2,(H2,11,12)/t6-/m1/s1
InChIKeySHSNLKTVPZVEAX-ZCFIWIBFSA-N
XLogP-0.80
TPSA116.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
CID 131097721
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55274137
(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol
CID 131010797
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
5-[(1S)-1,2-diaminoethyl]pyridin-3-ol
CID 55273539
(1S)-1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 66516677
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
5-(1-aminobutyl)-2-fluoropyridin-3-amine
CID 55294196
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
(3S)-3-amino-3-(6-amino-5-iodo-3-pyridinyl)propanenitrile
CID 131218152
(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74891559

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine?
The IUPAC name of 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine (CID 130738641) is 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine?
The canonical SMILES for 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine is NC[C@@H](N)c1cnc(N)c(N)c1.
What is the InChIKey of 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine?
The InChIKey is SHSNLKTVPZVEAX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N5/c8-2-6(10)4-1-5(9)7(11)12-3-4/h1,3,6H,2,8-10H2,(H2,11,12)/t6-/m1/s1.
What are the key properties of 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine?
5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine is sourced from PubChem (CID 130738641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).